----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829062280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.289375969999999 Atomic positions (fractional): *1 O 0.19561346370902 0.44751766015478 0.81800531968821 15.999 2 O 0.30438653629098 0.55248233984522 0.31800531968821 15.999 3 O 0.69561346370902 0.05248233984522 0.68199468031179 15.999 4 O 0.80438653629098 0.94751766015478 0.18199468031179 15.999 5 O 0.80438653629098 0.55248233984522 0.18199468031179 15.999 6 O 0.69561346370902 0.44751766015478 0.68199468031179 15.999 7 O 0.30438653629098 0.94751766015478 0.31800531968821 15.999 8 O 0.19561346370902 0.05248233984522 0.81800531968821 15.999 *9 O 0.03380167623040 0.25000000000000 0.38907034803609 15.999 10 O 0.46619832376960 0.75000000000000 0.88907034803609 15.999 11 O 0.53380167623040 0.25000000000000 0.11092965196391 15.999 12 O 0.96619832376960 0.75000000000000 0.61092965196391 15.999 *13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 *17 Nd 0.57993479400002 0.75000000000000 0.47193362874998 144.242 18 Nd 0.92006520599998 0.25000000000000 0.97193362874998 144.242 19 Nd 0.07993479400002 0.75000000000000 0.02806637125002 144.242 20 Nd 0.42006520599998 0.25000000000000 0.52806637125002 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.829062280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.289375969999999 Atomic positions (fractional): *1 O 0.19561346370902 0.44751766015478 0.81800531968821 15.999 > 1 2 O 0.30438653629098 0.55248233984522 0.31800531968821 15.999 > 2 3 O 0.69561346370902 0.05248233984522 0.68199468031179 15.999 > 3 4 O 0.80438653629098 0.94751766015478 0.18199468031179 15.999 > 4 5 O 0.80438653629098 0.55248233984522 0.18199468031179 15.999 > 5 6 O 0.69561346370902 0.44751766015478 0.68199468031179 15.999 > 6 7 O 0.30438653629098 0.94751766015478 0.31800531968821 15.999 > 7 8 O 0.19561346370902 0.05248233984522 0.81800531968821 15.999 > 8 *9 O 0.03380167623040 0.25000000000000 0.38907034803609 15.999 > 9 10 O 0.46619832376960 0.75000000000000 0.88907034803609 15.999 > 10 11 O 0.53380167623040 0.25000000000000 0.11092965196391 15.999 > 11 12 O 0.96619832376960 0.75000000000000 0.61092965196391 15.999 > 12 *13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 13 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 14 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 15 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 16 *17 Nd 0.57993479400002 0.75000000000000 0.47193362874998 144.242 > 17 18 Nd 0.92006520599998 0.25000000000000 0.97193362874998 144.242 > 18 19 Nd 0.07993479400002 0.75000000000000 0.02806637125002 144.242 > 19 20 Nd 0.42006520599998 0.25000000000000 0.52806637125002 144.242 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.658124559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.578751939999998 Atomic positions (fractional): *1 O 0.09780673185451 0.44751766015478 0.40900265984411 15.999 > 1 2 O 0.59780673185451 0.44751766015478 0.40900265984411 15.999 > 1 3 O 0.09780673185451 0.44751766015478 0.90900265984411 15.999 > 1 4 O 0.59780673185451 0.44751766015478 0.90900265984411 15.999 > 1 5 O 0.15219326814549 0.55248233984522 0.15900265984411 15.999 > 2 6 O 0.65219326814549 0.55248233984522 0.15900265984411 15.999 > 2 7 O 0.15219326814549 0.55248233984522 0.65900265984411 15.999 > 2 8 O 0.65219326814549 0.55248233984522 0.65900265984411 15.999 > 2 9 O 0.34780673185451 0.05248233984522 0.34099734015589 15.999 > 3 10 O 0.84780673185451 0.05248233984522 0.34099734015589 15.999 > 3 11 O 0.34780673185451 0.05248233984522 0.84099734015589 15.999 > 3 12 O 0.84780673185451 0.05248233984522 0.84099734015589 15.999 > 3 13 O 0.40219326814549 0.94751766015478 0.09099734015589 15.999 > 4 14 O 0.90219326814549 0.94751766015478 0.09099734015589 15.999 > 4 15 O 0.40219326814549 0.94751766015478 0.59099734015589 15.999 > 4 16 O 0.90219326814549 0.94751766015478 0.59099734015589 15.999 > 4 17 O 0.40219326814549 0.55248233984522 0.09099734015589 15.999 > 5 18 O 0.90219326814549 0.55248233984522 0.09099734015589 15.999 > 5 19 O 0.40219326814549 0.55248233984522 0.59099734015589 15.999 > 5 20 O 0.90219326814549 0.55248233984522 0.59099734015589 15.999 > 5 21 O 0.34780673185451 0.44751766015478 0.34099734015589 15.999 > 6 22 O 0.84780673185451 0.44751766015478 0.34099734015589 15.999 > 6 23 O 0.34780673185451 0.44751766015478 0.84099734015589 15.999 > 6 24 O 0.84780673185451 0.44751766015478 0.84099734015589 15.999 > 6 25 O 0.15219326814549 0.94751766015478 0.15900265984411 15.999 > 7 26 O 0.65219326814549 0.94751766015478 0.15900265984411 15.999 > 7 27 O 0.15219326814549 0.94751766015478 0.65900265984411 15.999 > 7 28 O 0.65219326814549 0.94751766015478 0.65900265984411 15.999 > 7 29 O 0.09780673185451 0.05248233984522 0.40900265984411 15.999 > 8 30 O 0.59780673185451 0.05248233984522 0.40900265984411 15.999 > 8 31 O 0.09780673185451 0.05248233984522 0.90900265984411 15.999 > 8 32 O 0.59780673185451 0.05248233984522 0.90900265984411 15.999 > 8 *33 O 0.01690083811520 0.25000000000000 0.19453517401805 15.999 > 9 34 O 0.51690083811520 0.25000000000000 0.19453517401805 15.999 > 9 35 O 0.01690083811520 0.25000000000000 0.69453517401805 15.999 > 9 36 O 0.51690083811520 0.25000000000000 0.69453517401805 15.999 > 9 37 O 0.23309916188480 0.75000000000000 0.44453517401805 15.999 > 10 38 O 0.73309916188480 0.75000000000000 0.44453517401805 15.999 > 10 39 O 0.23309916188480 0.75000000000000 0.94453517401805 15.999 > 10 40 O 0.73309916188480 0.75000000000000 0.94453517401805 15.999 > 10 41 O 0.26690083811520 0.25000000000000 0.05546482598195 15.999 > 11 42 O 0.76690083811520 0.25000000000000 0.05546482598195 15.999 > 11 43 O 0.26690083811520 0.25000000000000 0.55546482598195 15.999 > 11 44 O 0.76690083811520 0.25000000000000 0.55546482598195 15.999 > 11 45 O 0.48309916188480 0.75000000000000 0.30546482598195 15.999 > 12 46 O 0.98309916188480 0.75000000000000 0.30546482598195 15.999 > 12 47 O 0.48309916188480 0.75000000000000 0.80546482598195 15.999 > 12 48 O 0.98309916188480 0.75000000000000 0.80546482598195 15.999 > 12 *49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 13 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 13 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 13 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 13 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 14 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 14 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 14 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 14 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 15 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 15 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 15 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 15 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 16 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 16 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 16 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 16 *65 Nd 0.28996739700001 0.75000000000000 0.23596681437499 144.242 > 17 66 Nd 0.78996739700001 0.75000000000000 0.23596681437499 144.242 > 17 67 Nd 0.28996739700001 0.75000000000000 0.73596681437499 144.242 > 17 68 Nd 0.78996739700001 0.75000000000000 0.73596681437499 144.242 > 17 69 Nd 0.46003260299999 0.25000000000000 0.48596681437499 144.242 > 18 70 Nd 0.96003260299999 0.25000000000000 0.48596681437499 144.242 > 18 71 Nd 0.46003260299999 0.25000000000000 0.98596681437499 144.242 > 18 72 Nd 0.96003260299999 0.25000000000000 0.98596681437499 144.242 > 18 73 Nd 0.03996739700001 0.75000000000000 0.01403318562501 144.242 > 19 74 Nd 0.53996739700001 0.75000000000000 0.01403318562501 144.242 > 19 75 Nd 0.03996739700001 0.75000000000000 0.51403318562501 144.242 > 19 76 Nd 0.53996739700001 0.75000000000000 0.51403318562501 144.242 > 19 77 Nd 0.21003260299999 0.25000000000000 0.26403318562501 144.242 > 20 78 Nd 0.71003260299999 0.25000000000000 0.26403318562501 144.242 > 20 79 Nd 0.21003260299999 0.25000000000000 0.76403318562501 144.242 > 20 80 Nd 0.71003260299999 0.25000000000000 0.76403318562501 144.242 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.1217361 0.0000000 0.0000000 0.0000000 11.7343476 0.0000000 0.0000000 0.0000000 12.6791901 -------------------------- Born effective charges -------------------------- 1 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 2 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 3 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 4 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 5 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 6 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 7 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 8 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 9 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 10 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 11 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 12 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 13 Rh 1.6460212 -0.2579600 1.0841833 -0.7134928 1.7227023 0.9954871 -0.3608481 -0.8931552 0.8362445 14 Rh 1.6460212 -0.2579600 -1.0841833 -0.7134928 1.7227023 -0.9954871 0.3608481 0.8931552 0.8362445 15 Rh 1.6460212 0.2579600 -1.0841833 0.7134928 1.7227023 0.9954871 0.3608481 -0.8931552 0.8362445 16 Rh 1.6460212 0.2579600 1.0841833 0.7134928 1.7227023 -0.9954871 -0.3608481 0.8931552 0.8362445 17 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 18 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 19 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 20 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.742 Solver_block: 200 / 320 - Time: 0.745 Solver_block: 300 / 320 - Time: 0.745 Solver_block: 320 / 320 - Time: 0.189 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.437 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:18:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:18:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829062280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.289375969999999 Atomic positions (fractional): 1 O 0.19561346370902 0.44751766015478 0.81800531968821 15.999 2 O 0.30438653629098 0.55248233984522 0.31800531968821 15.999 3 O 0.69561346370902 0.05248233984522 0.68199468031179 15.999 4 O 0.80438653629098 0.94751766015478 0.18199468031179 15.999 5 O 0.80438653629098 0.55248233984522 0.18199468031179 15.999 6 O 0.69561346370902 0.44751766015478 0.68199468031179 15.999 7 O 0.30438653629098 0.94751766015478 0.31800531968821 15.999 8 O 0.19561346370902 0.05248233984522 0.81800531968821 15.999 9 O 0.03380167623040 0.25000000000000 0.38907034803609 15.999 10 O 0.46619832376960 0.75000000000000 0.88907034803609 15.999 11 O 0.53380167623040 0.25000000000000 0.11092965196391 15.999 12 O 0.96619832376960 0.75000000000000 0.61092965196391 15.999 13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 17 Nd 0.57993479400002 0.75000000000000 0.47193362874998 144.242 18 Nd 0.92006520599998 0.25000000000000 0.97193362874998 144.242 19 Nd 0.07993479400002 0.75000000000000 0.02806637125002 144.242 20 Nd 0.42006520599998 0.25000000000000 0.52806637125002 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.658124559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.578751939999998 Atomic positions (fractional): 1 O 0.09780673185451 0.44751766015478 0.40900265984411 15.999 > 1 2 O 0.59780673185451 0.44751766015478 0.40900265984411 15.999 > 1 3 O 0.09780673185451 0.44751766015478 0.90900265984411 15.999 > 1 4 O 0.59780673185451 0.44751766015478 0.90900265984411 15.999 > 1 5 O 0.15219326814549 0.55248233984522 0.15900265984411 15.999 > 5 6 O 0.65219326814549 0.55248233984522 0.15900265984411 15.999 > 5 7 O 0.15219326814549 0.55248233984522 0.65900265984411 15.999 > 5 8 O 0.65219326814549 0.55248233984522 0.65900265984411 15.999 > 5 9 O 0.34780673185451 0.05248233984522 0.34099734015589 15.999 > 9 10 O 0.84780673185451 0.05248233984522 0.34099734015589 15.999 > 9 11 O 0.34780673185451 0.05248233984522 0.84099734015589 15.999 > 9 12 O 0.84780673185451 0.05248233984522 0.84099734015589 15.999 > 9 13 O 0.40219326814549 0.94751766015478 0.09099734015589 15.999 > 13 14 O 0.90219326814549 0.94751766015478 0.09099734015589 15.999 > 13 15 O 0.40219326814549 0.94751766015478 0.59099734015589 15.999 > 13 16 O 0.90219326814549 0.94751766015478 0.59099734015589 15.999 > 13 17 O 0.40219326814549 0.55248233984522 0.09099734015589 15.999 > 17 18 O 0.90219326814549 0.55248233984522 0.09099734015589 15.999 > 17 19 O 0.40219326814549 0.55248233984522 0.59099734015589 15.999 > 17 20 O 0.90219326814549 0.55248233984522 0.59099734015589 15.999 > 17 21 O 0.34780673185451 0.44751766015478 0.34099734015589 15.999 > 21 22 O 0.84780673185451 0.44751766015478 0.34099734015589 15.999 > 21 23 O 0.34780673185451 0.44751766015478 0.84099734015589 15.999 > 21 24 O 0.84780673185451 0.44751766015478 0.84099734015589 15.999 > 21 25 O 0.15219326814549 0.94751766015478 0.15900265984411 15.999 > 25 26 O 0.65219326814549 0.94751766015478 0.15900265984411 15.999 > 25 27 O 0.15219326814549 0.94751766015478 0.65900265984411 15.999 > 25 28 O 0.65219326814549 0.94751766015478 0.65900265984411 15.999 > 25 29 O 0.09780673185451 0.05248233984522 0.40900265984411 15.999 > 29 30 O 0.59780673185451 0.05248233984522 0.40900265984411 15.999 > 29 31 O 0.09780673185451 0.05248233984522 0.90900265984411 15.999 > 29 32 O 0.59780673185451 0.05248233984522 0.90900265984411 15.999 > 29 33 O 0.01690083811520 0.25000000000000 0.19453517401805 15.999 > 33 34 O 0.51690083811520 0.25000000000000 0.19453517401805 15.999 > 33 35 O 0.01690083811520 0.25000000000000 0.69453517401805 15.999 > 33 36 O 0.51690083811520 0.25000000000000 0.69453517401805 15.999 > 33 37 O 0.23309916188480 0.75000000000000 0.44453517401805 15.999 > 37 38 O 0.73309916188480 0.75000000000000 0.44453517401805 15.999 > 37 39 O 0.23309916188480 0.75000000000000 0.94453517401805 15.999 > 37 40 O 0.73309916188480 0.75000000000000 0.94453517401805 15.999 > 37 41 O 0.26690083811520 0.25000000000000 0.05546482598195 15.999 > 41 42 O 0.76690083811520 0.25000000000000 0.05546482598195 15.999 > 41 43 O 0.26690083811520 0.25000000000000 0.55546482598195 15.999 > 41 44 O 0.76690083811520 0.25000000000000 0.55546482598195 15.999 > 41 45 O 0.48309916188480 0.75000000000000 0.30546482598195 15.999 > 45 46 O 0.98309916188480 0.75000000000000 0.30546482598195 15.999 > 45 47 O 0.48309916188480 0.75000000000000 0.80546482598195 15.999 > 45 48 O 0.98309916188480 0.75000000000000 0.80546482598195 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 Nd 0.28996739700001 0.75000000000000 0.23596681437499 144.242 > 65 66 Nd 0.78996739700001 0.75000000000000 0.23596681437499 144.242 > 65 67 Nd 0.28996739700001 0.75000000000000 0.73596681437499 144.242 > 65 68 Nd 0.78996739700001 0.75000000000000 0.73596681437499 144.242 > 65 69 Nd 0.46003260299999 0.25000000000000 0.48596681437499 144.242 > 69 70 Nd 0.96003260299999 0.25000000000000 0.48596681437499 144.242 > 69 71 Nd 0.46003260299999 0.25000000000000 0.98596681437499 144.242 > 69 72 Nd 0.96003260299999 0.25000000000000 0.98596681437499 144.242 > 69 73 Nd 0.03996739700001 0.75000000000000 0.01403318562501 144.242 > 73 74 Nd 0.53996739700001 0.75000000000000 0.01403318562501 144.242 > 73 75 Nd 0.03996739700001 0.75000000000000 0.51403318562501 144.242 > 73 76 Nd 0.53996739700001 0.75000000000000 0.51403318562501 144.242 > 73 77 Nd 0.21003260299999 0.25000000000000 0.26403318562501 144.242 > 77 78 Nd 0.71003260299999 0.25000000000000 0.26403318562501 144.242 > 77 79 Nd 0.21003260299999 0.25000000000000 0.76403318562501 144.242 > 77 80 Nd 0.71003260299999 0.25000000000000 0.76403318562501 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.1217361 0.0000000 0.0000000 0.0000000 11.7343476 0.0000000 0.0000000 0.0000000 12.6791901 -------------------------- Born effective charges -------------------------- 1 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 2 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 3 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 4 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 5 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 6 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 7 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 8 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 9 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 10 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 11 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 12 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 13 Rh 1.6460212 -0.2579600 1.0841833 -0.7134928 1.7227023 0.9954871 -0.3608481 -0.8931552 0.8362445 14 Rh 1.6460212 -0.2579600 -1.0841833 -0.7134928 1.7227023 -0.9954871 0.3608481 0.8931552 0.8362445 15 Rh 1.6460212 0.2579600 -1.0841833 0.7134928 1.7227023 0.9954871 0.3608481 -0.8931552 0.8362445 16 Rh 1.6460212 0.2579600 1.0841833 0.7134928 1.7227023 -0.9954871 -0.3608481 0.8931552 0.8362445 17 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 18 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 19 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 20 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (zy) -0.00000005 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:18:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:18:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.829062280000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.289375969999999 Atomic positions (fractional): 1 O 0.19561346370902 0.44751766015478 0.81800531968821 15.999 2 O 0.30438653629098 0.55248233984522 0.31800531968821 15.999 3 O 0.69561346370902 0.05248233984522 0.68199468031179 15.999 4 O 0.80438653629098 0.94751766015478 0.18199468031179 15.999 5 O 0.80438653629098 0.55248233984522 0.18199468031179 15.999 6 O 0.69561346370902 0.44751766015478 0.68199468031179 15.999 7 O 0.30438653629098 0.94751766015478 0.31800531968821 15.999 8 O 0.19561346370902 0.05248233984522 0.81800531968821 15.999 9 O 0.03380167623040 0.25000000000000 0.38907034803609 15.999 10 O 0.46619832376960 0.75000000000000 0.88907034803609 15.999 11 O 0.53380167623040 0.25000000000000 0.11092965196391 15.999 12 O 0.96619832376960 0.75000000000000 0.61092965196391 15.999 13 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 14 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 15 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 16 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 17 Nd 0.57993479400002 0.75000000000000 0.47193362874998 144.242 18 Nd 0.92006520599998 0.25000000000000 0.97193362874998 144.242 19 Nd 0.07993479400002 0.75000000000000 0.02806637125002 144.242 20 Nd 0.42006520599998 0.25000000000000 0.52806637125002 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.658124559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 7.726190549999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.578751939999998 Atomic positions (fractional): 1 O 0.09780673185451 0.44751766015478 0.40900265984411 15.999 > 1 2 O 0.59780673185451 0.44751766015478 0.40900265984411 15.999 > 1 3 O 0.09780673185451 0.44751766015478 0.90900265984411 15.999 > 1 4 O 0.59780673185451 0.44751766015478 0.90900265984411 15.999 > 1 5 O 0.15219326814549 0.55248233984522 0.15900265984411 15.999 > 5 6 O 0.65219326814549 0.55248233984522 0.15900265984411 15.999 > 5 7 O 0.15219326814549 0.55248233984522 0.65900265984411 15.999 > 5 8 O 0.65219326814549 0.55248233984522 0.65900265984411 15.999 > 5 9 O 0.34780673185451 0.05248233984522 0.34099734015589 15.999 > 9 10 O 0.84780673185451 0.05248233984522 0.34099734015589 15.999 > 9 11 O 0.34780673185451 0.05248233984522 0.84099734015589 15.999 > 9 12 O 0.84780673185451 0.05248233984522 0.84099734015589 15.999 > 9 13 O 0.40219326814549 0.94751766015478 0.09099734015589 15.999 > 13 14 O 0.90219326814549 0.94751766015478 0.09099734015589 15.999 > 13 15 O 0.40219326814549 0.94751766015478 0.59099734015589 15.999 > 13 16 O 0.90219326814549 0.94751766015478 0.59099734015589 15.999 > 13 17 O 0.40219326814549 0.55248233984522 0.09099734015589 15.999 > 17 18 O 0.90219326814549 0.55248233984522 0.09099734015589 15.999 > 17 19 O 0.40219326814549 0.55248233984522 0.59099734015589 15.999 > 17 20 O 0.90219326814549 0.55248233984522 0.59099734015589 15.999 > 17 21 O 0.34780673185451 0.44751766015478 0.34099734015589 15.999 > 21 22 O 0.84780673185451 0.44751766015478 0.34099734015589 15.999 > 21 23 O 0.34780673185451 0.44751766015478 0.84099734015589 15.999 > 21 24 O 0.84780673185451 0.44751766015478 0.84099734015589 15.999 > 21 25 O 0.15219326814549 0.94751766015478 0.15900265984411 15.999 > 25 26 O 0.65219326814549 0.94751766015478 0.15900265984411 15.999 > 25 27 O 0.15219326814549 0.94751766015478 0.65900265984411 15.999 > 25 28 O 0.65219326814549 0.94751766015478 0.65900265984411 15.999 > 25 29 O 0.09780673185451 0.05248233984522 0.40900265984411 15.999 > 29 30 O 0.59780673185451 0.05248233984522 0.40900265984411 15.999 > 29 31 O 0.09780673185451 0.05248233984522 0.90900265984411 15.999 > 29 32 O 0.59780673185451 0.05248233984522 0.90900265984411 15.999 > 29 33 O 0.01690083811520 0.25000000000000 0.19453517401805 15.999 > 33 34 O 0.51690083811520 0.25000000000000 0.19453517401805 15.999 > 33 35 O 0.01690083811520 0.25000000000000 0.69453517401805 15.999 > 33 36 O 0.51690083811520 0.25000000000000 0.69453517401805 15.999 > 33 37 O 0.23309916188480 0.75000000000000 0.44453517401805 15.999 > 37 38 O 0.73309916188480 0.75000000000000 0.44453517401805 15.999 > 37 39 O 0.23309916188480 0.75000000000000 0.94453517401805 15.999 > 37 40 O 0.73309916188480 0.75000000000000 0.94453517401805 15.999 > 37 41 O 0.26690083811520 0.25000000000000 0.05546482598195 15.999 > 41 42 O 0.76690083811520 0.25000000000000 0.05546482598195 15.999 > 41 43 O 0.26690083811520 0.25000000000000 0.55546482598195 15.999 > 41 44 O 0.76690083811520 0.25000000000000 0.55546482598195 15.999 > 41 45 O 0.48309916188480 0.75000000000000 0.30546482598195 15.999 > 45 46 O 0.98309916188480 0.75000000000000 0.30546482598195 15.999 > 45 47 O 0.48309916188480 0.75000000000000 0.80546482598195 15.999 > 45 48 O 0.98309916188480 0.75000000000000 0.80546482598195 15.999 > 45 49 Rh 0.00000000000000 0.50000000000000 0.25000000000000 102.906 > 49 50 Rh 0.50000000000000 0.50000000000000 0.25000000000000 102.906 > 49 51 Rh 0.00000000000000 0.50000000000000 0.75000000000000 102.906 > 49 52 Rh 0.50000000000000 0.50000000000000 0.75000000000000 102.906 > 49 53 Rh 0.25000000000000 0.50000000000000 0.00000000000000 102.906 > 53 54 Rh 0.75000000000000 0.50000000000000 0.00000000000000 102.906 > 53 55 Rh 0.25000000000000 0.50000000000000 0.50000000000000 102.906 > 53 56 Rh 0.75000000000000 0.50000000000000 0.50000000000000 102.906 > 53 57 Rh 0.25000000000000 0.00000000000000 0.00000000000000 102.906 > 57 58 Rh 0.75000000000000 0.00000000000000 0.00000000000000 102.906 > 57 59 Rh 0.25000000000000 0.00000000000000 0.50000000000000 102.906 > 57 60 Rh 0.75000000000000 0.00000000000000 0.50000000000000 102.906 > 57 61 Rh 0.00000000000000 0.00000000000000 0.25000000000000 102.906 > 61 62 Rh 0.50000000000000 0.00000000000000 0.25000000000000 102.906 > 61 63 Rh 0.00000000000000 0.00000000000000 0.75000000000000 102.906 > 61 64 Rh 0.50000000000000 0.00000000000000 0.75000000000000 102.906 > 61 65 Nd 0.28996739700001 0.75000000000000 0.23596681437499 144.242 > 65 66 Nd 0.78996739700001 0.75000000000000 0.23596681437499 144.242 > 65 67 Nd 0.28996739700001 0.75000000000000 0.73596681437499 144.242 > 65 68 Nd 0.78996739700001 0.75000000000000 0.73596681437499 144.242 > 65 69 Nd 0.46003260299999 0.25000000000000 0.48596681437499 144.242 > 69 70 Nd 0.96003260299999 0.25000000000000 0.48596681437499 144.242 > 69 71 Nd 0.46003260299999 0.25000000000000 0.98596681437499 144.242 > 69 72 Nd 0.96003260299999 0.25000000000000 0.98596681437499 144.242 > 69 73 Nd 0.03996739700001 0.75000000000000 0.01403318562501 144.242 > 73 74 Nd 0.53996739700001 0.75000000000000 0.01403318562501 144.242 > 73 75 Nd 0.03996739700001 0.75000000000000 0.51403318562501 144.242 > 73 76 Nd 0.53996739700001 0.75000000000000 0.51403318562501 144.242 > 73 77 Nd 0.21003260299999 0.25000000000000 0.26403318562501 144.242 > 77 78 Nd 0.71003260299999 0.25000000000000 0.26403318562501 144.242 > 77 79 Nd 0.21003260299999 0.25000000000000 0.76403318562501 144.242 > 77 80 Nd 0.71003260299999 0.25000000000000 0.76403318562501 144.242 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.1217361 0.0000000 0.0000000 0.0000000 11.7343476 0.0000000 0.0000000 0.0000000 12.6791901 -------------------------- Born effective charges -------------------------- 1 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 2 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 3 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 4 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 5 O -2.3384227 -0.0055594 -0.7474960 0.0483473 -1.4428134 -0.2462267 -0.8952004 -0.3582889 -1.9542898 6 O -2.3384227 -0.0055594 0.7474960 0.0483473 -1.4428134 0.2462267 0.8952004 0.3582889 -1.9542898 7 O -2.3384227 0.0055594 0.7474960 -0.0483473 -1.4428134 -0.2462267 0.8952004 -0.3582889 -1.9542898 8 O -2.3384227 0.0055594 -0.7474960 -0.0483473 -1.4428134 0.2462267 -0.8952004 0.3582889 -1.9542898 9 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 10 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 11 O -1.2395975 0.0000000 0.5988379 0.0000000 -2.9944033 0.0000000 0.7531564 0.0000000 -1.3984858 12 O -1.2395975 0.0000000 -0.5988379 0.0000000 -2.9944033 0.0000000 -0.7531564 0.0000000 -1.3984858 13 Rh 1.6460212 -0.2579600 1.0841833 -0.7134928 1.7227023 0.9954871 -0.3608481 -0.8931552 0.8362445 14 Rh 1.6460212 -0.2579600 -1.0841833 -0.7134928 1.7227023 -0.9954871 0.3608481 0.8931552 0.8362445 15 Rh 1.6460212 0.2579600 -1.0841833 0.7134928 1.7227023 0.9954871 0.3608481 -0.8931552 0.8362445 16 Rh 1.6460212 0.2579600 1.0841833 0.7134928 1.7227023 -0.9954871 -0.3608481 0.8931552 0.8362445 17 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 18 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 19 Nd 4.2704218 0.0000000 -0.0101782 0.0000000 4.1573279 0.0000000 -0.3267195 0.0000000 4.4708208 20 Nd 4.2704218 0.0000000 0.0101782 0.0000000 4.1573279 0.0000000 0.3267195 0.0000000 4.4708208 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000009 (yyy) -0.00000009 (yyy) -0.00000009 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 303, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.032 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.538 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 7.171 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.318 ( 0.000 0.000 0.000) 0.000 7.339 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.919 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.163 ( 0.000 0.000 0.000) 0.000 12.213 ( 0.000 0.000 0.000) 0.000 13.491 ( 0.000 0.000 0.000) 0.000 13.522 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.537 ( 0.000 0.000 0.000) 0.000 14.588 ( 0.000 0.000 0.000) 0.000 14.798 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.504 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 15.547 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 0.000 0.000) 0.000 16.378 ( 0.000 0.000 0.000) 0.000 16.446 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 17.003 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.392 ( 0.000 0.000 0.000) 0.000 17.988 ( 0.000 0.000 0.000) 0.000 18.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 29.253 0.000 0.000) 29.253 0.699 ( 35.841 0.000 0.000) 35.841 1.136 ( 58.423 0.000 0.000) 58.423 2.544 ( 3.905 0.000 0.000) 3.905 2.983 ( -3.721 0.000 0.000) 3.721 3.074 ( 4.321 0.000 0.000) 4.321 3.540 ( 0.854 0.000 0.000) 0.854 3.980 ( 1.497 0.000 0.000) 1.497 4.094 ( 0.645 0.000 0.000) 0.645 4.157 ( 6.570 0.000 0.000) 6.570 4.208 ( -12.647 0.000 0.000) 12.647 4.351 ( -3.944 0.000 0.000) 3.944 4.591 ( 5.919 0.000 0.000) 5.919 4.680 ( -1.304 0.000 0.000) 1.304 4.755 ( -6.134 0.000 0.000) 6.134 4.886 ( 19.947 0.000 0.000) 19.947 5.036 ( -9.416 0.000 0.000) 9.416 5.305 ( -4.634 0.000 0.000) 4.634 6.716 ( 4.254 0.000 0.000) 4.254 7.136 ( -3.241 0.000 0.000) 3.241 7.217 ( -11.703 0.000 0.000) 11.703 7.222 ( -7.546 0.000 0.000) 7.546 7.290 ( -7.861 0.000 0.000) 7.861 7.492 ( -7.349 0.000 0.000) 7.349 7.659 ( -8.482 0.000 0.000) 8.482 7.787 ( -2.130 0.000 0.000) 2.130 7.829 ( -1.123 0.000 0.000) 1.123 7.916 ( 12.244 0.000 0.000) 12.244 8.050 ( 9.976 0.000 0.000) 9.976 8.123 ( -10.257 0.000 0.000) 10.257 8.993 ( 6.687 0.000 0.000) 6.687 9.333 ( -7.216 0.000 0.000) 7.216 9.718 ( 9.204 0.000 0.000) 9.204 10.891 ( -4.404 0.000 0.000) 4.404 11.530 ( -3.943 0.000 0.000) 3.943 11.991 ( -1.146 0.000 0.000) 1.146 12.174 ( 1.435 0.000 0.000) 1.435 12.478 ( 22.699 0.000 0.000) 22.699 13.523 ( 3.202 0.000 0.000) 3.202 13.554 ( 3.344 0.000 0.000) 3.344 13.574 ( -0.138 0.000 0.000) 0.138 14.383 ( -0.077 0.000 0.000) 0.077 14.431 ( -10.943 0.000 0.000) 10.943 14.797 ( -0.477 0.000 0.000) 0.477 14.929 ( -4.634 0.000 0.000) 4.634 15.053 ( 2.178 0.000 0.000) 2.178 15.435 ( -6.540 0.000 0.000) 6.540 15.549 ( 1.017 0.000 0.000) 1.017 15.579 ( 0.913 0.000 0.000) 0.913 16.082 ( -3.650 0.000 0.000) 3.650 16.279 ( -0.785 0.000 0.000) 0.785 16.301 ( -5.728 0.000 0.000) 5.728 16.375 ( 0.304 0.000 0.000) 0.304 16.434 ( -1.296 0.000 0.000) 1.296 16.571 ( 4.905 0.000 0.000) 4.905 17.330 ( 0.042 0.000 0.000) 0.042 17.386 ( -0.587 0.000 0.000) 0.587 17.765 ( -5.392 0.000 0.000) 5.392 17.992 ( 0.326 0.000 0.000) 0.326 18.034 ( -0.671 0.000 0.000) 0.671 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 30.004 0.000 0.000) 30.004 1.353 ( 32.533 0.000 0.000) 32.533 2.188 ( 49.766 0.000 0.000) 49.766 2.629 ( 4.411 0.000 0.000) 4.411 2.934 ( 0.571 0.000 0.000) 0.571 3.191 ( 7.683 0.000 0.000) 7.683 3.529 ( -2.461 0.000 0.000) 2.461 3.975 ( -2.796 0.000 0.000) 2.796 3.988 ( -10.503 0.000 0.000) 10.503 3.996 ( -7.152 0.000 0.000) 7.152 4.246 ( -6.849 0.000 0.000) 6.849 4.445 ( 15.915 0.000 0.000) 15.915 4.596 ( -6.407 0.000 0.000) 6.407 4.604 ( -5.446 0.000 0.000) 5.446 4.685 ( -6.396 0.000 0.000) 6.396 4.900 ( 6.521 0.000 0.000) 6.521 5.208 ( -4.235 0.000 0.000) 4.235 5.343 ( 26.337 0.000 0.000) 26.337 6.794 ( 1.152 0.000 0.000) 1.152 6.939 ( -16.816 0.000 0.000) 16.816 7.006 ( -15.175 0.000 0.000) 15.175 7.069 ( -3.271 0.000 0.000) 3.271 7.099 ( -9.606 0.000 0.000) 9.606 7.354 ( -7.277 0.000 0.000) 7.277 7.490 ( -9.737 0.000 0.000) 9.737 7.738 ( -2.557 0.000 0.000) 2.557 7.763 ( -8.704 0.000 0.000) 8.704 7.916 ( -7.542 0.000 0.000) 7.542 8.136 ( 10.425 0.000 0.000) 10.425 8.229 ( 8.336 0.000 0.000) 8.336 9.132 ( 7.107 0.000 0.000) 7.107 9.254 ( -1.307 0.000 0.000) 1.307 9.858 ( 5.953 0.000 0.000) 5.953 10.768 ( -8.305 0.000 0.000) 8.305 11.541 ( 4.909 0.000 0.000) 4.909 11.962 ( -1.840 0.000 0.000) 1.840 12.238 ( 5.927 0.000 0.000) 5.927 12.952 ( 25.201 0.000 0.000) 25.201 13.592 ( 2.908 0.000 0.000) 2.908 13.604 ( 4.982 0.000 0.000) 4.982 13.644 ( 5.645 0.000 0.000) 5.645 14.137 ( -18.999 0.000 0.000) 18.999 14.368 ( -1.840 0.000 0.000) 1.840 14.763 ( -3.527 0.000 0.000) 3.527 14.808 ( -7.691 0.000 0.000) 7.691 15.032 ( -7.975 0.000 0.000) 7.975 15.344 ( 0.740 0.000 0.000) 0.740 15.577 ( 1.934 0.000 0.000) 1.934 15.601 ( 1.381 0.000 0.000) 1.381 15.991 ( -5.648 0.000 0.000) 5.648 16.198 ( -4.710 0.000 0.000) 4.710 16.263 ( -0.717 0.000 0.000) 0.717 16.375 ( -0.434 0.000 0.000) 0.434 16.393 ( -3.053 0.000 0.000) 3.053 16.670 ( 5.592 0.000 0.000) 5.592 17.331 ( 0.090 0.000 0.000) 0.090 17.372 ( -0.841 0.000 0.000) 0.841 17.618 ( -9.688 0.000 0.000) 9.688 17.999 ( 0.406 0.000 0.000) 0.406 18.019 ( -0.820 0.000 0.000) 0.820 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 29.601 0.000 0.000) 29.601 1.931 ( 27.883 0.000 0.000) 27.883 2.684 ( 0.332 0.000 0.000) 0.332 2.751 ( 5.915 0.000 0.000) 5.915 3.232 ( 29.720 0.000 0.000) 29.720 3.352 ( 8.504 0.000 0.000) 8.504 3.458 ( -2.257 0.000 0.000) 2.257 3.810 ( -7.979 0.000 0.000) 7.979 3.842 ( -8.832 0.000 0.000) 8.832 3.867 ( -8.031 0.000 0.000) 8.031 4.099 ( -8.225 0.000 0.000) 8.225 4.357 ( -9.058 0.000 0.000) 9.058 4.425 ( -14.936 0.000 0.000) 14.936 4.453 ( -8.051 0.000 0.000) 8.051 4.954 ( 26.811 0.000 0.000) 26.811 5.211 ( 6.632 0.000 0.000) 6.632 5.233 ( 22.634 0.000 0.000) 22.634 5.840 ( 23.448 0.000 0.000) 23.448 6.599 ( -17.316 0.000 0.000) 17.316 6.603 ( -19.014 0.000 0.000) 19.014 6.631 ( -24.432 0.000 0.000) 24.432 7.024 ( -1.428 0.000 0.000) 1.428 7.074 ( 4.824 0.000 0.000) 4.824 7.221 ( -6.466 0.000 0.000) 6.466 7.271 ( -13.517 0.000 0.000) 13.517 7.520 ( -13.172 0.000 0.000) 13.172 7.708 ( -0.105 0.000 0.000) 0.105 7.850 ( -2.154 0.000 0.000) 2.154 8.304 ( 7.052 0.000 0.000) 7.052 8.358 ( 5.093 0.000 0.000) 5.093 9.245 ( 4.562 0.000 0.000) 4.562 9.264 ( 1.767 0.000 0.000) 1.767 9.976 ( 7.143 0.000 0.000) 7.143 10.581 ( -11.086 0.000 0.000) 11.086 11.673 ( 7.664 0.000 0.000) 7.664 11.924 ( -2.170 0.000 0.000) 2.170 12.418 ( 13.237 0.000 0.000) 13.237 13.370 ( 16.869 0.000 0.000) 16.869 13.629 ( -17.812 0.000 0.000) 17.812 13.696 ( 4.023 0.000 0.000) 4.023 13.735 ( 13.479 0.000 0.000) 13.479 13.866 ( 1.763 0.000 0.000) 1.763 14.304 ( -5.042 0.000 0.000) 5.042 14.653 ( -8.009 0.000 0.000) 8.009 14.657 ( -7.337 0.000 0.000) 7.337 14.772 ( -16.674 0.000 0.000) 16.674 15.448 ( 7.589 0.000 0.000) 7.589 15.622 ( 2.757 0.000 0.000) 2.757 15.626 ( 1.009 0.000 0.000) 1.009 15.877 ( -6.030 0.000 0.000) 6.030 16.133 ( -1.813 0.000 0.000) 1.813 16.259 ( 0.422 0.000 0.000) 0.422 16.317 ( -4.881 0.000 0.000) 4.881 16.356 ( -1.528 0.000 0.000) 1.528 16.792 ( 7.524 0.000 0.000) 7.524 17.333 ( 0.154 0.000 0.000) 0.154 17.356 ( -0.742 0.000 0.000) 0.742 17.408 ( -12.022 0.000 0.000) 12.022 18.005 ( 0.177 0.000 0.000) 0.177 18.006 ( -0.416 0.000 0.000) 0.416 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 24.917 0.000 0.000) 24.917 2.405 ( 21.363 0.000 0.000) 21.363 2.585 ( -12.149 0.000 0.000) 12.149 2.710 ( -9.440 0.000 0.000) 9.440 3.374 ( 2.031 0.000 0.000) 2.031 3.448 ( -1.248 0.000 0.000) 1.248 3.695 ( -3.636 0.000 0.000) 3.636 3.698 ( -4.553 0.000 0.000) 4.553 3.751 ( -0.330 0.000 0.000) 0.330 3.755 ( 11.177 0.000 0.000) 11.177 3.978 ( 0.450 0.000 0.000) 0.450 4.166 ( -12.526 0.000 0.000) 12.526 4.258 ( -0.835 0.000 0.000) 0.835 4.313 ( -5.889 0.000 0.000) 5.889 5.480 ( 27.405 0.000 0.000) 27.405 5.516 ( 24.915 0.000 0.000) 24.915 5.694 ( 24.487 0.000 0.000) 24.487 5.943 ( -17.505 0.000 0.000) 17.505 6.092 ( -30.378 0.000 0.000) 30.378 6.182 ( -23.985 0.000 0.000) 23.985 6.551 ( 16.765 0.000 0.000) 16.765 6.916 ( -16.496 0.000 0.000) 16.496 7.069 ( -0.937 0.000 0.000) 0.937 7.116 ( -4.328 0.000 0.000) 4.328 7.181 ( 5.957 0.000 0.000) 5.957 7.313 ( -8.487 0.000 0.000) 8.487 7.737 ( 2.857 0.000 0.000) 2.857 7.799 ( -3.199 0.000 0.000) 3.199 8.400 ( 3.033 0.000 0.000) 3.033 8.418 ( 1.139 0.000 0.000) 1.139 9.298 ( 1.322 0.000 0.000) 1.322 9.301 ( 1.284 0.000 0.000) 1.284 10.143 ( 10.292 0.000 0.000) 10.292 10.358 ( -11.926 0.000 0.000) 11.926 11.800 ( 5.285 0.000 0.000) 5.285 11.876 ( -2.983 0.000 0.000) 2.983 12.743 ( 20.534 0.000 0.000) 20.534 13.181 ( -24.683 0.000 0.000) 24.683 13.607 ( 9.392 0.000 0.000) 9.392 13.723 ( -2.099 0.000 0.000) 2.099 14.009 ( 9.174 0.000 0.000) 9.174 14.072 ( 19.505 0.000 0.000) 19.505 14.177 ( -8.055 0.000 0.000) 8.055 14.431 ( -17.833 0.000 0.000) 17.833 14.530 ( -4.058 0.000 0.000) 4.058 14.534 ( -4.874 0.000 0.000) 4.874 15.576 ( 5.027 0.000 0.000) 5.027 15.630 ( -0.932 0.000 0.000) 0.932 15.684 ( 3.813 0.000 0.000) 3.813 15.769 ( -5.149 0.000 0.000) 5.149 16.138 ( 2.409 0.000 0.000) 2.409 16.216 ( -5.268 0.000 0.000) 5.268 16.280 ( 1.755 0.000 0.000) 1.755 16.320 ( -2.174 0.000 0.000) 2.174 16.961 ( 10.157 0.000 0.000) 10.157 17.175 ( -12.043 0.000 0.000) 12.043 17.337 ( 0.277 0.000 0.000) 0.277 17.344 ( -0.492 0.000 0.000) 0.492 18.003 ( 0.045 0.000 0.000) 0.045 18.005 ( -0.104 0.000 0.000) 0.104 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 0.000 20.554 0.000) 20.554 0.717 ( 0.000 32.808 0.000) 32.808 1.393 ( 0.000 62.126 0.000) 62.126 2.332 ( 0.000 -15.237 0.000) 15.237 2.908 ( 0.000 -10.887 0.000) 10.887 3.095 ( 0.000 6.467 0.000) 6.467 3.472 ( 0.000 0.848 0.000) 0.848 4.008 ( 0.000 3.490 0.000) 3.490 4.073 ( 0.000 4.417 0.000) 4.417 4.098 ( 0.000 -5.175 0.000) 5.175 4.146 ( 0.000 -15.041 0.000) 15.041 4.367 ( 0.000 -7.563 0.000) 7.563 4.532 ( 0.000 -0.491 0.000) 0.491 4.673 ( 0.000 7.050 0.000) 7.050 4.933 ( 0.000 1.610 0.000) 1.610 5.012 ( 0.000 -0.658 0.000) 0.658 5.215 ( 0.000 15.793 0.000) 15.793 5.344 ( 0.000 5.122 0.000) 5.122 6.519 ( 0.000 -11.570 0.000) 11.570 7.148 ( 0.000 -1.884 0.000) 1.884 7.216 ( 0.000 -7.525 0.000) 7.525 7.293 ( 0.000 -2.033 0.000) 2.033 7.318 ( 0.000 -2.985 0.000) 2.985 7.494 ( 0.000 -12.138 0.000) 12.138 7.726 ( 0.000 0.296 0.000) 0.296 7.788 ( 0.000 -1.685 0.000) 1.685 7.858 ( 0.000 -2.899 0.000) 2.899 8.042 ( 0.000 -2.398 0.000) 2.398 8.317 ( 0.000 13.736 0.000) 13.736 8.541 ( 0.000 6.161 0.000) 6.161 8.962 ( 0.000 3.042 0.000) 3.042 9.366 ( 0.000 -5.139 0.000) 5.139 9.742 ( 0.000 18.732 0.000) 18.732 11.068 ( 0.000 11.665 0.000) 11.665 11.223 ( 0.000 -6.409 0.000) 6.409 11.971 ( 0.000 -3.018 0.000) 3.018 12.180 ( 0.000 1.510 0.000) 1.510 12.235 ( 0.000 1.679 0.000) 1.679 13.527 ( 0.000 3.309 0.000) 3.309 13.552 ( 0.000 2.701 0.000) 2.701 13.662 ( 0.000 8.059 0.000) 8.059 14.419 ( 0.000 2.660 0.000) 2.660 14.490 ( 0.000 -3.336 0.000) 3.336 14.571 ( 0.000 -1.660 0.000) 1.660 14.856 ( 0.000 4.594 0.000) 4.594 14.979 ( 0.000 -4.790 0.000) 4.790 15.408 ( 0.000 -12.499 0.000) 12.499 15.423 ( 0.000 -6.910 0.000) 6.910 15.585 ( 0.000 4.214 0.000) 4.214 16.161 ( 0.000 2.917 0.000) 2.917 16.287 ( 0.000 -0.429 0.000) 0.429 16.370 ( 0.000 -0.100 0.000) 0.100 16.371 ( 0.000 -0.628 0.000) 0.628 16.424 ( 0.000 -6.699 0.000) 6.699 16.450 ( 0.000 0.447 0.000) 0.447 16.913 ( 0.000 -7.422 0.000) 7.422 17.378 ( 0.000 4.386 0.000) 4.386 17.950 ( 0.000 -3.517 0.000) 3.517 18.111 ( 0.000 5.763 0.000) 5.763 18.561 ( 0.000 -2.001 0.000) 2.001 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 30.305 10.754 0.000) 32.156 1.032 ( 21.988 25.683 0.000) 33.810 1.709 ( 32.996 47.021 0.000) 57.443 2.400 ( 6.520 -13.401 0.000) 14.903 2.878 ( -2.007 -9.052 0.000) 9.272 3.113 ( 1.872 4.794 0.000) 5.147 3.507 ( 1.341 -1.554 0.000) 2.053 4.020 ( -0.867 -1.000 0.000) 1.323 4.053 ( -2.184 -0.099 0.000) 2.186 4.067 ( -6.554 -11.725 0.000) 13.433 4.193 ( 11.079 3.557 0.000) 11.636 4.307 ( -5.398 -3.105 0.000) 6.227 4.575 ( 4.761 -1.165 0.000) 4.901 4.849 ( -8.080 0.371 0.000) 8.089 4.867 ( 17.598 0.536 0.000) 17.606 5.053 ( 0.328 12.768 0.000) 12.772 5.163 ( -5.264 18.363 0.000) 19.102 5.191 ( -9.742 -1.602 0.000) 9.873 6.572 ( 4.992 -11.940 0.000) 12.941 7.115 ( -3.049 -1.712 0.000) 3.497 7.154 ( -6.475 -6.683 0.000) 9.305 7.196 ( -10.885 -1.843 0.000) 11.040 7.210 ( -8.933 -3.160 0.000) 9.476 7.494 ( -0.556 -10.034 0.000) 10.049 7.611 ( -13.258 2.291 0.000) 13.455 7.742 ( -0.749 -1.830 0.000) 1.978 7.781 ( -6.307 -2.748 0.000) 6.880 7.995 ( -7.006 -7.570 0.000) 10.314 8.297 ( -4.989 21.600 0.000) 22.168 8.343 ( 3.828 16.612 0.000) 17.047 9.024 ( 5.706 2.144 0.000) 6.095 9.339 ( -5.215 -2.798 0.000) 5.919 9.835 ( 9.040 14.232 0.000) 16.861 11.026 ( -4.316 11.763 0.000) 12.530 11.367 ( 5.391 -11.043 0.000) 12.289 11.957 ( -1.353 -3.202 0.000) 3.476 12.193 ( 1.938 1.692 0.000) 2.573 12.440 ( 19.705 -2.059 0.000) 19.813 13.536 ( 1.694 1.892 0.000) 2.539 13.602 ( 4.328 3.651 0.000) 5.662 13.661 ( 0.214 8.376 0.000) 8.379 14.415 ( -8.329 -1.107 0.000) 8.402 14.416 ( -0.030 2.860 0.000) 2.860 14.718 ( 5.854 -10.103 0.000) 11.677 14.824 ( -2.814 2.368 0.000) 3.678 15.014 ( 3.205 -3.777 0.000) 4.954 15.350 ( -7.130 -7.295 0.000) 10.200 15.426 ( 1.605 -12.766 0.000) 12.866 15.591 ( 0.684 3.888 0.000) 3.948 16.119 ( -3.857 3.150 0.000) 4.980 16.250 ( -5.227 -3.735 0.000) 6.424 16.300 ( -1.785 0.601 0.000) 1.884 16.371 ( -0.178 -0.443 0.000) 0.477 16.441 ( -0.808 0.808 0.000) 1.143 16.514 ( 5.450 -4.537 0.000) 7.092 17.020 ( 7.222 -14.027 0.000) 15.777 17.379 ( 0.134 4.452 0.000) 4.454 17.953 ( 0.336 -3.512 0.000) 3.528 18.064 ( -6.169 6.432 0.000) 8.912 18.257 ( -17.760 12.337 0.000) 21.624 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 30.629 5.810 0.000) 31.175 1.436 ( 21.505 22.065 0.000) 30.811 2.478 ( 41.020 25.783 0.000) 48.450 2.549 ( 8.231 -8.551 0.000) 11.869 2.870 ( 2.941 -5.842 0.000) 6.540 3.171 ( 4.338 0.412 0.000) 4.357 3.484 ( -3.880 -3.450 0.000) 5.192 3.924 ( -7.482 -6.703 0.000) 10.045 3.940 ( -6.178 -6.523 0.000) 8.984 4.010 ( -4.537 3.908 0.000) 5.988 4.176 ( -7.996 -1.790 0.000) 8.194 4.480 ( 11.231 1.713 0.000) 11.361 4.575 ( -3.330 -0.735 0.000) 3.411 4.827 ( 11.877 0.747 0.000) 11.901 4.867 ( -13.054 16.039 0.000) 20.679 5.035 ( -6.870 21.798 0.000) 22.855 5.166 ( 3.780 0.110 0.000) 3.782 5.301 ( 24.620 -3.894 0.000) 24.926 6.674 ( 3.615 -10.462 0.000) 11.069 6.929 ( -16.219 -1.180 0.000) 16.262 6.971 ( -12.729 -3.672 0.000) 13.248 6.998 ( -11.841 -6.222 0.000) 13.376 7.055 ( -2.828 -1.073 0.000) 3.025 7.394 ( -9.193 1.967 0.000) 9.401 7.440 ( -6.112 -4.366 0.000) 7.511 7.642 ( -9.559 -6.807 0.000) 11.734 7.699 ( -3.461 -3.154 0.000) 4.682 7.805 ( -9.538 -9.723 0.000) 13.620 8.341 ( 6.018 15.452 0.000) 16.582 8.445 ( 5.798 15.220 0.000) 16.287 9.146 ( 6.408 0.832 0.000) 6.462 9.265 ( -1.692 -0.731 0.000) 1.843 9.993 ( 7.133 13.310 0.000) 15.101 10.906 ( -8.138 12.045 0.000) 14.537 11.457 ( 5.819 -7.528 0.000) 9.514 11.922 ( -2.279 -3.772 0.000) 4.407 12.272 ( 6.966 3.027 0.000) 7.595 12.872 ( 23.499 -6.754 0.000) 24.450 13.596 ( 4.408 0.530 0.000) 4.440 13.684 ( 2.672 8.635 0.000) 9.039 13.695 ( 4.555 3.229 0.000) 5.583 14.171 ( -16.432 3.269 0.000) 16.754 14.408 ( -1.087 3.445 0.000) 3.613 14.721 ( -4.084 -6.597 0.000) 7.759 14.756 ( -4.640 -0.539 0.000) 4.671 15.012 ( -8.214 -1.765 0.000) 8.401 15.247 ( 1.420 -8.627 0.000) 8.743 15.462 ( 2.001 -12.256 0.000) 12.418 15.611 ( 1.429 3.059 0.000) 3.377 16.027 ( -5.585 3.252 0.000) 6.463 16.142 ( -5.079 -4.719 0.000) 6.933 16.285 ( -0.221 1.721 0.000) 1.735 16.349 ( -2.405 -1.644 0.000) 2.913 16.423 ( -1.006 2.071 0.000) 2.303 16.617 ( 5.547 -4.411 0.000) 7.087 17.112 ( 2.311 -14.640 0.000) 14.821 17.384 ( 0.325 4.676 0.000) 4.687 17.845 ( -13.202 11.321 0.000) 17.391 17.962 ( 0.479 -3.455 0.000) 3.488 18.085 ( -4.191 4.794 0.000) 6.367 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 23.067 13.543 0.000) 26.749 1.963 ( 26.236 3.075 0.000) 26.416 2.680 ( 4.629 -2.043 0.000) 5.060 2.840 ( 3.400 5.769 0.000) 6.697 3.254 ( 24.901 1.082 0.000) 24.925 3.275 ( 6.152 -5.055 0.000) 7.963 3.373 ( -6.211 -5.127 0.000) 8.054 3.742 ( -11.725 -7.017 0.000) 13.665 3.858 ( -1.146 2.543 0.000) 2.789 3.884 ( -7.342 2.291 0.000) 7.691 4.022 ( -7.229 -2.737 0.000) 7.729 4.264 ( -13.852 -2.122 0.000) 14.014 4.658 ( -7.400 14.675 0.000) 16.435 4.844 ( -6.607 27.487 0.000) 28.270 4.971 ( 25.428 1.698 0.000) 25.485 5.217 ( 22.158 -1.011 0.000) 22.181 5.272 ( 9.347 6.904 0.000) 11.620 5.795 ( 24.764 -4.386 0.000) 25.149 6.524 ( -17.875 -4.543 0.000) 18.443 6.599 ( -18.458 -1.668 0.000) 18.533 6.648 ( -21.853 1.221 0.000) 21.887 6.927 ( 3.989 -11.793 0.000) 12.450 7.013 ( -1.938 -1.000 0.000) 2.180 7.249 ( -13.327 -1.844 0.000) 13.454 7.253 ( -5.622 1.509 0.000) 5.821 7.406 ( -12.567 -8.969 0.000) 15.439 7.638 ( -2.233 -5.426 0.000) 5.867 7.705 ( -2.654 -11.654 0.000) 11.952 8.462 ( 5.953 12.500 0.000) 13.845 8.539 ( 3.738 13.493 0.000) 14.001 9.250 ( 4.223 -0.001 0.000) 4.223 9.268 ( 1.486 -0.646 0.000) 1.620 10.127 ( 7.513 13.856 0.000) 15.762 10.723 ( -10.844 12.493 0.000) 16.543 11.590 ( 7.423 -7.514 0.000) 10.562 11.872 ( -2.888 -4.782 0.000) 5.587 12.472 ( 14.123 4.729 0.000) 14.894 13.290 ( 19.743 -7.658 0.000) 21.176 13.644 ( -15.142 1.089 0.000) 15.181 13.698 ( 4.988 0.676 0.000) 5.033 13.776 ( 6.839 5.246 0.000) 8.619 13.927 ( -2.810 5.357 0.000) 6.049 14.374 ( -2.067 5.620 0.000) 5.988 14.609 ( -6.728 -3.674 0.000) 7.666 14.630 ( -8.824 -2.685 0.000) 9.224 14.763 ( -14.157 -0.358 0.000) 14.161 15.361 ( 7.436 -7.814 0.000) 10.786 15.498 ( 1.625 -11.376 0.000) 11.492 15.648 ( 2.560 2.333 0.000) 3.464 15.914 ( -6.137 3.240 0.000) 6.940 16.073 ( -1.857 -4.880 0.000) 5.222 16.278 ( -4.940 -2.548 0.000) 5.558 16.292 ( 1.007 2.661 0.000) 2.845 16.400 ( -1.522 3.037 0.000) 3.397 16.733 ( 6.806 -4.986 0.000) 8.437 17.112 ( -2.347 -12.805 0.000) 13.018 17.393 ( 0.739 5.190 0.000) 5.242 17.622 ( -9.898 10.240 0.000) 14.242 17.970 ( 0.420 -3.215 0.000) 3.242 18.025 ( -2.362 1.108 0.000) 2.609 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 18.447 4.721 0.000) 19.041 2.375 ( 13.583 -0.744 0.000) 13.603 2.700 ( -0.939 7.196 0.000) 7.257 2.814 ( -7.531 8.766 0.000) 11.557 3.322 ( 4.161 -9.205 0.000) 10.101 3.382 ( 4.653 -10.402 0.000) 11.396 3.450 ( -1.155 -9.657 0.000) 9.726 3.501 ( -12.425 -6.478 0.000) 14.012 3.788 ( -1.159 1.795 0.000) 2.136 3.837 ( -4.253 2.667 0.000) 5.020 3.987 ( 3.313 0.940 0.000) 3.444 4.067 ( -6.406 -1.769 0.000) 6.646 4.624 ( 3.195 24.482 0.000) 24.689 4.718 ( -5.884 29.585 0.000) 30.164 5.482 ( 26.765 0.293 0.000) 26.767 5.588 ( 23.922 6.533 0.000) 24.798 5.675 ( 24.765 -1.699 0.000) 24.823 5.947 ( -16.676 0.419 0.000) 16.681 6.145 ( -29.476 4.748 0.000) 29.856 6.145 ( -22.856 -3.088 0.000) 23.064 6.486 ( 16.587 -5.759 0.000) 17.558 6.865 ( -17.608 -4.509 0.000) 18.176 7.010 ( 3.519 -9.849 0.000) 10.459 7.056 ( -2.900 -2.211 0.000) 3.647 7.182 ( -1.448 0.078 0.000) 1.450 7.224 ( -6.054 -7.003 0.000) 9.258 7.627 ( 0.971 -8.414 0.000) 8.470 7.661 ( -2.210 -10.756 0.000) 10.981 8.552 ( 3.204 11.875 0.000) 12.299 8.579 ( 0.348 12.370 0.000) 12.375 9.299 ( 1.255 -0.614 0.000) 1.397 9.302 ( 1.179 -0.427 0.000) 1.254 10.294 ( 10.126 13.664 0.000) 17.007 10.505 ( -11.638 13.079 0.000) 17.507 11.718 ( 5.799 -7.374 0.000) 9.381 11.809 ( -3.877 -6.174 0.000) 7.290 12.805 ( 20.399 5.424 0.000) 21.108 13.231 ( -23.580 4.422 0.000) 23.991 13.616 ( 14.206 -1.426 0.000) 14.278 13.772 ( -0.216 4.520 0.000) 4.525 13.898 ( 3.963 -6.076 0.000) 7.254 13.925 ( -0.615 -6.671 0.000) 6.699 14.369 ( 3.004 10.271 0.000) 10.701 14.464 ( -6.124 -0.637 0.000) 6.157 14.495 ( -4.227 -3.084 0.000) 5.233 14.535 ( -9.359 3.028 0.000) 9.837 15.477 ( 4.145 -8.874 0.000) 9.794 15.515 ( -0.144 -10.298 0.000) 10.299 15.711 ( 4.005 2.316 0.000) 4.627 15.801 ( -5.456 2.835 0.000) 6.148 16.083 ( 2.956 -4.243 0.000) 5.172 16.172 ( -5.736 -3.280 0.000) 6.607 16.322 ( 2.054 3.326 0.000) 3.909 16.364 ( -2.185 3.441 0.000) 4.076 16.876 ( 8.024 -6.747 0.000) 10.484 17.023 ( -6.735 -9.956 0.000) 12.020 17.416 ( 1.913 6.360 0.000) 6.642 17.479 ( -5.092 8.504 0.000) 9.912 17.978 ( 0.476 -2.573 0.000) 2.616 17.992 ( -1.102 -1.228 0.000) 1.649 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 22.160 0.000) 22.160 1.406 ( 0.000 30.855 0.000) 30.855 1.904 ( 0.000 -22.937 0.000) 22.937 2.535 ( 0.000 -5.116 0.000) 5.116 2.657 ( 0.000 35.514 0.000) 35.514 3.306 ( 0.000 12.375 0.000) 12.375 3.509 ( 0.000 2.885 0.000) 2.885 3.835 ( 0.000 -12.707 0.000) 12.707 3.879 ( 0.000 -11.544 0.000) 11.544 4.103 ( 0.000 -17.622 0.000) 17.622 4.158 ( 0.000 6.032 0.000) 6.032 4.173 ( 0.000 4.210 0.000) 4.210 4.530 ( 0.000 1.087 0.000) 1.087 4.807 ( 0.000 5.592 0.000) 5.592 4.816 ( 0.000 -8.836 0.000) 8.836 4.983 ( 0.000 -2.144 0.000) 2.144 5.502 ( 0.000 9.820 0.000) 9.820 5.797 ( 0.000 32.606 0.000) 32.606 6.179 ( 0.000 -18.685 0.000) 18.685 6.970 ( 0.000 -15.727 0.000) 15.727 7.108 ( 0.000 -1.272 0.000) 1.272 7.248 ( 0.000 -1.783 0.000) 1.783 7.255 ( 0.000 -2.341 0.000) 2.341 7.266 ( 0.000 -9.632 0.000) 9.632 7.732 ( 0.000 0.209 0.000) 0.209 7.752 ( 0.000 -1.264 0.000) 1.264 7.805 ( 0.000 -1.543 0.000) 1.543 7.900 ( 0.000 -6.820 0.000) 6.820 8.656 ( 0.000 14.730 0.000) 14.730 8.733 ( 0.000 10.900 0.000) 10.900 8.998 ( 0.000 -0.713 0.000) 0.713 9.209 ( 0.000 -9.255 0.000) 9.255 10.214 ( 0.000 22.909 0.000) 22.909 11.016 ( 0.000 -12.777 0.000) 12.777 11.377 ( 0.000 15.383 0.000) 15.383 11.869 ( 0.000 -6.603 0.000) 6.603 12.222 ( 0.000 2.092 0.000) 2.092 12.266 ( 0.000 0.770 0.000) 0.770 13.621 ( 0.000 4.625 0.000) 4.625 13.625 ( 0.000 3.582 0.000) 3.582 13.931 ( 0.000 16.563 0.000) 16.563 14.443 ( 0.000 0.306 0.000) 0.306 14.501 ( 0.000 4.953 0.000) 4.953 14.508 ( 0.000 -4.677 0.000) 4.677 14.806 ( 0.000 -11.188 0.000) 11.188 14.972 ( 0.000 5.841 0.000) 5.841 15.043 ( 0.000 -19.887 0.000) 19.887 15.252 ( 0.000 -7.806 0.000) 7.806 15.720 ( 0.000 8.260 0.000) 8.260 16.177 ( 0.000 -10.476 0.000) 10.476 16.246 ( 0.000 4.564 0.000) 4.564 16.332 ( 0.000 -0.399 0.000) 0.399 16.355 ( 0.000 -0.804 0.000) 0.804 16.363 ( 0.000 -0.709 0.000) 0.709 16.472 ( 0.000 1.926 0.000) 1.926 16.727 ( 0.000 -9.008 0.000) 9.008 17.508 ( 0.000 7.326 0.000) 7.326 17.840 ( 0.000 -6.560 0.000) 6.560 18.254 ( 0.000 6.867 0.000) 6.867 18.497 ( 0.000 -3.949 0.000) 3.949 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 21.602 17.285 0.000) 27.666 1.584 ( 15.706 25.766 0.000) 30.176 2.011 ( 10.505 -21.006 0.000) 23.486 2.576 ( 3.557 -15.196 0.000) 15.607 2.779 ( 13.661 43.420 0.000) 45.518 3.292 ( -1.329 11.183 0.000) 11.262 3.504 ( -1.364 1.710 0.000) 2.187 3.793 ( -3.010 -11.844 0.000) 12.220 3.837 ( -4.183 -11.474 0.000) 12.213 4.148 ( 2.830 -13.026 0.000) 13.330 4.184 ( 1.485 7.541 0.000) 7.686 4.279 ( 10.414 3.623 0.000) 11.026 4.549 ( 2.788 -0.810 0.000) 2.904 4.745 ( -6.585 -7.529 0.000) 10.003 4.878 ( 8.150 1.346 0.000) 8.260 5.016 ( 1.752 -4.300 0.000) 4.643 5.458 ( -3.153 15.166 0.000) 15.490 5.764 ( -3.402 32.796 0.000) 32.972 6.227 ( 4.883 -19.009 0.000) 19.626 6.923 ( -4.729 -15.228 0.000) 15.945 7.085 ( -1.910 -0.415 0.000) 1.954 7.154 ( -9.861 -1.650 0.000) 9.999 7.158 ( -9.664 -1.756 0.000) 9.822 7.288 ( 1.920 -9.492 0.000) 9.684 7.635 ( -10.048 0.947 0.000) 10.093 7.704 ( -3.433 -1.835 0.000) 3.892 7.729 ( -7.451 -1.737 0.000) 7.651 7.814 ( -9.208 -7.247 0.000) 11.718 8.676 ( -2.685 14.773 0.000) 15.015 8.693 ( 3.545 14.583 0.000) 15.008 9.042 ( 4.213 -1.329 0.000) 4.418 9.199 ( -1.405 -9.131 0.000) 9.239 10.271 ( 5.799 22.886 0.000) 23.609 11.101 ( 6.638 -14.176 0.000) 15.653 11.340 ( -3.865 15.698 0.000) 16.166 11.849 ( -1.987 -6.971 0.000) 7.249 12.246 ( 3.356 3.152 0.000) 4.604 12.392 ( 12.296 -2.709 0.000) 12.591 13.607 ( 0.454 4.285 0.000) 4.309 13.682 ( 3.737 2.843 0.000) 4.695 13.937 ( 0.651 16.670 0.000) 16.682 14.417 ( -3.243 2.550 0.000) 4.126 14.490 ( -0.023 1.956 0.000) 1.957 14.564 ( 3.175 -3.762 0.000) 4.922 14.819 ( -0.361 -8.534 0.000) 8.542 14.939 ( -1.273 2.010 0.000) 2.380 15.064 ( 2.083 -19.466 0.000) 19.577 15.174 ( -7.981 -7.629 0.000) 11.041 15.714 ( -0.519 7.435 0.000) 7.454 16.112 ( -5.427 -8.742 0.000) 10.290 16.209 ( -3.558 4.807 0.000) 5.980 16.322 ( 0.040 1.335 0.000) 1.335 16.352 ( -1.349 -1.410 0.000) 1.951 16.418 ( 4.483 -3.687 0.000) 5.804 16.476 ( 0.422 2.658 0.000) 2.691 16.763 ( 3.236 -10.443 0.000) 10.933 17.511 ( 0.280 7.378 0.000) 7.384 17.843 ( 0.357 -6.557 0.000) 6.567 18.202 ( -5.462 6.171 0.000) 8.241 18.366 ( -11.478 0.115 0.000) 11.479 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 25.903 11.390 0.000) 28.296 1.897 ( 15.823 20.347 0.000) 25.775 2.262 ( 14.604 -16.541 0.000) 22.066 2.667 ( 6.251 -13.081 0.000) 14.498 3.130 ( 19.078 27.611 0.000) 33.561 3.265 ( -1.208 7.926 0.000) 8.018 3.427 ( -6.903 -0.920 0.000) 6.964 3.727 ( -7.229 -10.929 0.000) 13.103 3.777 ( 3.092 -4.012 0.000) 5.065 4.142 ( -6.278 7.782 0.000) 9.999 4.147 ( -3.490 -3.367 0.000) 4.850 4.452 ( -6.886 -4.412 0.000) 8.178 4.607 ( 14.088 3.377 0.000) 14.487 4.777 ( 14.202 -3.627 0.000) 14.657 4.973 ( -3.464 -0.395 0.000) 3.486 5.168 ( 20.248 -7.240 0.000) 21.504 5.454 ( 3.147 19.896 0.000) 20.143 5.676 ( -5.471 33.502 0.000) 33.946 6.347 ( 6.903 -19.209 0.000) 20.412 6.804 ( -7.486 -13.038 0.000) 15.034 6.898 ( -16.289 -1.383 0.000) 16.348 6.903 ( -16.299 -2.388 0.000) 16.473 7.051 ( -1.611 1.340 0.000) 2.096 7.319 ( 0.554 -7.498 0.000) 7.518 7.438 ( -9.356 2.646 0.000) 9.724 7.533 ( -14.074 -3.592 0.000) 14.525 7.564 ( -14.675 -9.248 0.000) 17.346 7.614 ( -5.702 -4.515 0.000) 7.273 8.682 ( 2.862 15.032 0.000) 15.302 8.773 ( 4.371 14.023 0.000) 14.689 9.136 ( 5.073 -2.454 0.000) 5.635 9.179 ( -0.030 -7.115 0.000) 7.115 10.400 ( 6.880 22.138 0.000) 23.183 11.227 ( 6.674 -13.725 0.000) 15.261 11.232 ( -7.289 16.610 0.000) 18.139 11.795 ( -3.599 -8.104 0.000) 8.867 12.365 ( 9.500 5.575 0.000) 11.015 12.696 ( 18.508 -8.844 0.000) 20.513 13.639 ( 2.796 3.304 0.000) 4.328 13.745 ( 1.936 0.716 0.000) 2.064 13.956 ( 1.310 15.864 0.000) 15.918 14.293 ( -9.933 8.532 0.000) 13.094 14.484 ( -0.955 0.277 0.000) 0.995 14.593 ( -0.182 -1.854 0.000) 1.863 14.730 ( -7.792 -3.193 0.000) 8.421 14.961 ( -9.195 -2.872 0.000) 9.633 15.013 ( 3.661 -10.664 0.000) 11.275 15.115 ( 3.080 -18.498 0.000) 18.753 15.706 ( -0.167 5.617 0.000) 5.619 16.009 ( -4.765 -7.260 0.000) 8.684 16.122 ( -5.411 5.150 0.000) 7.470 16.305 ( -3.697 -2.638 0.000) 4.541 16.333 ( 1.165 2.764 0.000) 2.999 16.485 ( 0.423 3.960 0.000) 3.982 16.507 ( 4.835 -5.222 0.000) 7.117 16.823 ( 2.482 -11.899 0.000) 12.155 17.519 ( 0.653 7.530 0.000) 7.559 17.853 ( 0.640 -6.494 0.000) 6.525 18.037 ( -11.470 6.749 0.000) 13.308 18.161 ( -8.588 1.470 0.000) 8.713 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 22.372 7.119 0.000) 23.478 2.181 ( 14.059 15.127 0.000) 20.651 2.531 ( 12.876 -11.242 0.000) 17.093 2.818 ( 9.491 -9.913 0.000) 13.724 3.234 ( -10.987 0.739 0.000) 11.012 3.248 ( -0.982 3.269 0.000) 3.414 3.350 ( 1.867 -0.662 0.000) 1.981 3.567 ( -9.278 -8.867 0.000) 12.834 3.930 ( 8.910 5.609 0.000) 10.528 3.982 ( -8.987 6.167 0.000) 10.899 4.034 ( -7.424 1.749 0.000) 7.627 4.214 ( -12.829 -3.169 0.000) 13.214 4.986 ( 8.494 15.725 0.000) 17.873 5.012 ( 24.537 2.565 0.000) 24.671 5.139 ( 21.748 -2.266 0.000) 21.866 5.550 ( 7.901 17.950 0.000) 19.612 5.571 ( -4.920 33.777 0.000) 34.133 5.639 ( 26.341 -10.053 0.000) 28.194 6.400 ( -8.390 -10.017 0.000) 13.067 6.550 ( -19.873 -2.542 0.000) 20.035 6.625 ( -5.682 -12.140 0.000) 13.404 6.629 ( -12.015 -5.980 0.000) 13.421 6.991 ( -7.624 -0.323 0.000) 7.631 7.187 ( -18.032 -6.719 0.000) 19.243 7.221 ( -10.608 -3.588 0.000) 11.198 7.293 ( -5.904 2.711 0.000) 6.496 7.413 ( -1.098 -13.294 0.000) 13.340 7.507 ( -4.909 -6.317 0.000) 8.000 8.758 ( 4.458 13.712 0.000) 14.418 8.843 ( 2.642 13.436 0.000) 13.693 9.202 ( 2.164 -5.706 0.000) 6.103 9.219 ( 3.340 -3.420 0.000) 4.780 10.531 ( 7.213 21.781 0.000) 22.945 11.068 ( -9.691 17.995 0.000) 20.438 11.358 ( 7.020 -13.887 0.000) 15.561 11.715 ( -4.846 -9.966 0.000) 11.082 12.611 ( 16.060 7.995 0.000) 17.939 13.067 ( 19.971 -11.875 0.000) 23.235 13.673 ( -7.992 1.712 0.000) 8.173 13.719 ( 1.464 0.631 0.000) 1.594 13.977 ( 0.416 12.533 0.000) 12.540 14.091 ( -9.203 9.732 0.000) 13.394 14.445 ( -3.084 -4.245 0.000) 5.247 14.527 ( -12.461 -7.097 0.000) 14.340 14.580 ( -0.274 6.151 0.000) 6.157 14.783 ( -6.731 2.804 0.000) 7.292 15.136 ( 6.149 -11.958 0.000) 13.446 15.174 ( 2.913 -17.356 0.000) 17.598 15.719 ( 1.795 4.118 0.000) 4.492 15.949 ( -1.040 -6.107 0.000) 6.195 16.008 ( -6.434 5.154 0.000) 8.244 16.213 ( -5.855 -3.595 0.000) 6.870 16.366 ( 2.236 4.189 0.000) 4.749 16.485 ( -0.618 5.020 0.000) 5.058 16.604 ( 5.419 -6.419 0.000) 8.401 16.844 ( -0.517 -11.596 0.000) 11.608 17.538 ( 1.380 7.779 0.000) 7.900 17.821 ( -10.182 8.012 0.000) 12.956 17.868 ( 0.958 -6.200 0.000) 6.273 18.027 ( -5.767 -1.298 0.000) 5.912 ======================= Grid point 22 (15/100) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 10.585 3.932 0.000) 11.292 2.411 ( 8.497 7.909 0.000) 11.608 2.746 ( 10.623 -5.684 0.000) 12.048 2.967 ( -7.518 -14.381 0.000) 16.228 3.039 ( 4.470 6.769 0.000) 8.111 3.190 ( -6.019 -1.359 0.000) 6.171 3.345 ( -0.202 -4.456 0.000) 4.460 3.403 ( -6.606 -5.206 0.000) 8.411 3.860 ( -2.423 4.706 0.000) 5.294 3.900 ( -5.628 3.378 0.000) 6.564 4.000 ( 0.085 -0.205 0.000) 0.221 4.034 ( -5.224 -2.082 0.000) 5.624 5.249 ( 13.531 31.459 0.000) 34.245 5.408 ( -2.501 29.473 0.000) 29.579 5.499 ( 25.615 1.487 0.000) 25.659 5.646 ( 20.558 2.486 0.000) 20.707 5.780 ( 16.066 10.394 0.000) 19.135 5.963 ( -9.200 0.611 0.000) 9.220 6.075 ( -19.794 -2.362 0.000) 19.935 6.279 ( -24.568 6.616 0.000) 25.444 6.313 ( 13.564 -10.060 0.000) 16.888 6.677 ( 5.792 -20.416 0.000) 21.221 6.731 ( -19.469 -7.846 0.000) 20.991 6.837 ( -13.913 -18.006 0.000) 22.755 7.158 ( 1.177 1.460 0.000) 1.875 7.206 ( -3.514 2.408 0.000) 4.260 7.416 ( 0.651 -10.504 0.000) 10.524 7.439 ( -2.162 -8.136 0.000) 8.418 8.833 ( 3.079 13.068 0.000) 13.425 8.866 ( -0.273 13.065 0.000) 13.068 9.244 ( 1.767 -4.871 0.000) 5.182 9.257 ( 0.575 -4.182 0.000) 4.221 10.685 ( 9.129 20.970 0.000) 22.871 10.874 ( -10.376 19.583 0.000) 22.162 11.490 ( 6.746 -13.674 0.000) 15.248 11.612 ( -5.922 -12.141 0.000) 13.508 12.962 ( 20.283 8.938 0.000) 22.165 13.360 ( -20.510 7.278 0.000) 21.763 13.447 ( 19.379 -11.962 0.000) 22.774 13.735 ( -6.301 -8.983 0.000) 10.972 13.941 ( -4.389 9.476 0.000) 10.443 13.958 ( -2.367 9.247 0.000) 9.545 14.367 ( -2.711 -7.096 0.000) 7.596 14.383 ( -2.887 -6.836 0.000) 7.420 14.603 ( 2.742 11.114 0.000) 11.447 14.678 ( -4.821 8.873 0.000) 10.098 15.217 ( 2.035 -14.277 0.000) 14.421 15.218 ( 1.469 -16.049 0.000) 16.116 15.779 ( 4.494 3.904 0.000) 5.953 15.884 ( -6.274 4.610 0.000) 7.786 15.980 ( 4.179 -4.990 0.000) 6.509 16.090 ( -6.660 -4.270 0.000) 7.911 16.414 ( 2.636 5.181 0.000) 5.813 16.460 ( -1.976 5.485 0.000) 5.830 16.710 ( 5.478 -8.057 0.000) 9.743 16.802 ( -3.774 -10.057 0.000) 10.741 17.578 ( 3.050 8.110 0.000) 8.664 17.664 ( -6.255 8.331 0.000) 10.418 17.892 ( 1.734 -5.406 0.000) 5.677 17.940 ( -3.424 -3.804 0.000) 5.118 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 0.000 -23.821 0.000) 23.821 1.392 ( 0.000 23.821 0.000) 23.821 2.036 ( 0.000 -27.171 0.000) 27.171 2.036 ( 0.000 27.171 0.000) 27.171 3.539 ( 0.000 -26.190 0.000) 26.190 3.539 ( 0.000 26.190 0.000) 26.190 3.597 ( 0.000 -13.920 0.000) 13.920 3.597 ( 0.000 13.920 0.000) 13.920 3.635 ( 0.000 -0.293 0.000) 0.293 3.635 ( 0.000 0.293 0.000) 0.293 4.229 ( 0.000 -0.230 0.000) 0.230 4.229 ( 0.000 0.230 0.000) 0.230 4.623 ( 0.000 -7.726 0.000) 7.726 4.623 ( 0.000 7.726 0.000) 7.726 4.915 ( 0.000 -4.208 0.000) 4.208 4.915 ( 0.000 4.208 0.000) 4.208 5.784 ( 0.000 -16.391 0.000) 16.391 5.784 ( 0.000 16.391 0.000) 16.391 6.486 ( 0.000 -28.936 0.000) 28.936 6.486 ( 0.000 28.936 0.000) 28.936 7.121 ( 0.000 -3.222 0.000) 3.222 7.121 ( 0.000 3.222 0.000) 3.222 7.228 ( 0.000 -0.106 0.000) 0.106 7.228 ( 0.000 0.106 0.000) 0.106 7.736 ( 0.000 -0.343 0.000) 0.343 7.736 ( 0.000 0.343 0.000) 0.343 7.806 ( 0.000 -1.918 0.000) 1.918 7.806 ( 0.000 1.918 0.000) 1.918 8.906 ( 0.000 -8.030 0.000) 8.030 8.906 ( 0.000 8.030 0.000) 8.030 8.981 ( 0.000 -11.502 0.000) 11.502 8.981 ( 0.000 11.502 0.000) 11.502 10.673 ( 0.000 -18.915 0.000) 18.915 10.673 ( 0.000 18.915 0.000) 18.915 11.675 ( 0.000 -11.545 0.000) 11.545 11.675 ( 0.000 11.545 0.000) 11.545 12.260 ( 0.000 -1.216 0.000) 1.216 12.260 ( 0.000 1.216 0.000) 1.216 13.676 ( 0.000 -0.253 0.000) 0.253 13.676 ( 0.000 0.253 0.000) 0.253 14.310 ( 0.000 -15.322 0.000) 15.322 14.310 ( 0.000 15.322 0.000) 15.322 14.553 ( 0.000 -9.971 0.000) 9.971 14.553 ( 0.000 9.971 0.000) 9.971 14.664 ( 0.000 -12.116 0.000) 12.116 14.664 ( 0.000 12.116 0.000) 12.116 15.102 ( 0.000 -6.308 0.000) 6.308 15.102 ( 0.000 6.308 0.000) 6.308 15.933 ( 0.000 -11.157 0.000) 11.157 15.933 ( 0.000 11.157 0.000) 11.157 16.330 ( 0.000 -2.656 0.000) 2.656 16.330 ( 0.000 2.656 0.000) 2.656 16.339 ( 0.000 -0.635 0.000) 0.635 16.339 ( 0.000 0.635 0.000) 0.635 16.556 ( 0.000 -6.199 0.000) 6.199 16.556 ( 0.000 6.199 0.000) 6.199 17.678 ( 0.000 -8.070 0.000) 8.070 17.678 ( 0.000 8.070 0.000) 8.070 18.392 ( 0.000 -5.724 0.000) 5.724 18.392 ( 0.000 5.724 0.000) 5.724 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 15.094 -21.023 0.000) 25.881 1.549 ( 15.094 21.023 0.000) 25.881 2.125 ( 8.502 -23.811 0.000) 25.284 2.125 ( 8.502 23.811 0.000) 25.284 3.497 ( -3.521 -12.954 0.000) 13.424 3.497 ( -3.521 12.954 0.000) 13.424 3.563 ( -3.365 -13.287 0.000) 13.707 3.563 ( -3.365 13.287 0.000) 13.707 3.742 ( 9.947 -18.787 0.000) 21.258 3.742 ( 9.947 18.787 0.000) 21.258 4.306 ( 6.736 -2.291 0.000) 7.115 4.306 ( 6.736 2.291 0.000) 7.115 4.587 ( -2.498 -5.448 0.000) 5.993 4.587 ( -2.498 5.448 0.000) 5.993 4.933 ( 1.884 -3.419 0.000) 3.904 4.933 ( 1.884 3.419 0.000) 3.904 5.812 ( 3.084 -18.221 0.000) 18.480 5.812 ( 3.084 18.221 0.000) 18.480 6.450 ( -3.537 -28.531 0.000) 28.750 6.450 ( -3.537 28.531 0.000) 28.750 7.124 ( 0.358 -4.639 0.000) 4.653 7.124 ( 0.358 4.639 0.000) 4.653 7.137 ( -9.476 -0.111 0.000) 9.477 7.137 ( -9.476 0.111 0.000) 9.477 7.664 ( -6.790 -1.737 0.000) 7.009 7.664 ( -6.790 1.737 0.000) 7.009 7.722 ( -8.622 -1.515 0.000) 8.754 7.722 ( -8.622 1.515 0.000) 8.754 8.942 ( 3.460 -8.187 0.000) 8.889 8.942 ( 3.460 8.187 0.000) 8.889 8.966 ( -0.833 -12.238 0.000) 12.267 8.966 ( -0.833 12.238 0.000) 12.267 10.738 ( 5.976 -19.535 0.000) 20.428 10.738 ( 5.976 19.535 0.000) 20.428 11.647 ( -2.958 -11.998 0.000) 12.357 11.647 ( -2.958 11.998 0.000) 12.357 12.321 ( 6.555 -3.629 0.000) 7.493 12.321 ( 6.555 3.629 0.000) 7.493 13.689 ( 1.247 -2.365 0.000) 2.673 13.689 ( 1.247 2.365 0.000) 2.673 14.313 ( 0.097 -15.280 0.000) 15.280 14.313 ( 0.097 15.280 0.000) 15.280 14.568 ( 0.960 -11.191 0.000) 11.232 14.568 ( 0.960 11.191 0.000) 11.232 14.690 ( 2.511 -12.379 0.000) 12.631 14.690 ( 2.511 12.379 0.000) 12.631 15.036 ( -6.452 -5.526 0.000) 8.495 15.036 ( -6.452 5.526 0.000) 8.495 15.904 ( -2.735 -9.771 0.000) 10.146 15.904 ( -2.735 9.771 0.000) 10.146 16.303 ( -2.748 -3.393 0.000) 4.366 16.303 ( -2.748 3.393 0.000) 4.366 16.358 ( 1.892 -2.084 0.000) 2.815 16.358 ( 1.892 2.084 0.000) 2.815 16.574 ( 1.698 -6.767 0.000) 6.977 16.574 ( 1.698 6.767 0.000) 6.977 17.682 ( 0.354 -8.087 0.000) 8.095 17.682 ( 0.354 8.087 0.000) 8.095 18.316 ( -7.346 -4.151 0.000) 8.438 18.316 ( -7.346 4.151 0.000) 8.438 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 20.208 -15.928 0.000) 25.731 1.900 ( 20.208 15.928 0.000) 25.731 2.318 ( 10.827 -18.484 0.000) 21.422 2.318 ( 10.827 18.484 0.000) 21.422 3.409 ( -5.660 -3.204 0.000) 6.503 3.409 ( -5.660 3.204 0.000) 6.503 3.480 ( -5.048 -11.318 0.000) 12.393 3.480 ( -5.048 11.318 0.000) 12.393 3.954 ( 9.781 -14.576 0.000) 17.554 3.954 ( 9.781 14.576 0.000) 17.554 4.316 ( -7.847 -7.701 0.000) 10.994 4.316 ( -7.847 7.701 0.000) 10.994 4.691 ( 15.472 -4.131 0.000) 16.014 4.691 ( 15.472 4.131 0.000) 16.014 5.018 ( 9.082 -5.197 0.000) 10.463 5.018 ( 9.082 5.197 0.000) 10.463 5.899 ( 5.669 -21.191 0.000) 21.936 5.899 ( 5.669 21.191 0.000) 21.936 6.363 ( -5.274 -27.822 0.000) 28.318 6.363 ( -5.274 27.822 0.000) 28.318 6.881 ( -16.750 -0.059 0.000) 16.750 6.881 ( -16.750 0.059 0.000) 16.750 7.135 ( 0.579 -6.961 0.000) 6.985 7.135 ( 0.579 6.961 0.000) 6.985 7.486 ( -15.811 -0.532 0.000) 15.820 7.486 ( -15.811 0.532 0.000) 15.820 7.515 ( -8.023 -4.322 0.000) 9.113 7.515 ( -8.023 4.322 0.000) 9.113 8.972 ( 1.695 -11.721 0.000) 11.843 8.972 ( 1.695 11.721 0.000) 11.843 9.020 ( 4.221 -8.510 0.000) 9.499 9.020 ( 4.221 8.510 0.000) 9.499 10.864 ( 6.732 -19.747 0.000) 20.863 10.864 ( 6.732 19.747 0.000) 20.863 11.565 ( -5.545 -13.356 0.000) 14.461 11.565 ( -5.545 13.356 0.000) 14.461 12.512 ( 13.277 -7.910 0.000) 15.454 12.512 ( 13.277 7.910 0.000) 15.454 13.716 ( 1.232 -3.101 0.000) 3.336 13.716 ( 1.232 3.101 0.000) 3.336 14.303 ( -1.396 -14.042 0.000) 14.111 14.303 ( -1.396 14.042 0.000) 14.111 14.536 ( -6.436 -12.860 0.000) 14.381 14.536 ( -6.436 12.860 0.000) 14.381 14.748 ( 3.384 -13.346 0.000) 13.768 14.748 ( 3.384 13.346 0.000) 13.768 14.913 ( -4.000 -0.928 0.000) 4.107 14.913 ( -4.000 0.928 0.000) 4.107 15.847 ( -2.635 -7.324 0.000) 7.784 15.847 ( -2.635 7.324 0.000) 7.784 16.229 ( -4.866 -4.405 0.000) 6.564 16.229 ( -4.866 4.405 0.000) 6.564 16.406 ( 3.072 -4.025 0.000) 5.064 16.406 ( 3.072 4.025 0.000) 5.064 16.609 ( 1.678 -7.787 0.000) 7.966 16.609 ( 1.678 7.787 0.000) 7.966 17.692 ( 0.747 -8.098 0.000) 8.133 17.692 ( 0.747 8.098 0.000) 8.133 18.143 ( -10.024 -3.009 0.000) 10.466 18.143 ( -10.024 3.009 0.000) 10.466 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 17.848 -11.338 0.000) 21.145 2.272 ( 17.848 11.338 0.000) 21.145 2.515 ( 9.325 -15.746 0.000) 18.300 2.515 ( 9.325 15.746 0.000) 18.300 3.293 ( -5.922 -3.608 0.000) 6.935 3.293 ( -5.922 3.608 0.000) 6.935 3.379 ( -5.435 -8.018 0.000) 9.687 3.379 ( -5.435 8.018 0.000) 9.687 4.035 ( -1.335 -2.448 0.000) 2.789 4.035 ( -1.335 2.448 0.000) 2.789 4.117 ( -10.855 -5.741 0.000) 12.279 4.117 ( -10.855 5.741 0.000) 12.279 5.075 ( 23.193 -3.150 0.000) 23.406 5.075 ( 23.193 3.150 0.000) 23.406 5.343 ( 24.529 -16.283 0.000) 29.442 5.343 ( 24.529 16.283 0.000) 29.442 6.005 ( 4.730 -22.250 0.000) 22.747 6.005 ( 4.730 22.250 0.000) 22.747 6.261 ( -5.180 -27.317 0.000) 27.804 6.261 ( -5.180 27.317 0.000) 27.804 6.523 ( -20.041 -0.833 0.000) 20.058 6.523 ( -20.041 0.833 0.000) 20.058 7.044 ( -18.126 -5.122 0.000) 18.836 7.044 ( -18.126 5.122 0.000) 18.836 7.226 ( -3.436 -3.583 0.000) 4.964 7.226 ( -3.436 3.583 0.000) 4.964 7.379 ( -5.924 -5.204 0.000) 7.885 7.379 ( -5.924 5.204 0.000) 7.885 9.024 ( 3.363 -10.585 0.000) 11.107 9.024 ( 3.363 10.585 0.000) 11.107 9.088 ( 2.589 -8.872 0.000) 9.242 9.088 ( 2.589 8.872 0.000) 9.242 10.992 ( 6.866 -19.821 0.000) 20.976 10.992 ( 6.866 19.821 0.000) 20.976 11.440 ( -7.448 -15.446 0.000) 17.147 11.440 ( -7.448 15.446 0.000) 17.147 12.816 ( 18.158 -10.876 0.000) 21.166 12.816 ( 18.158 10.876 0.000) 21.166 13.710 ( -3.109 -1.384 0.000) 3.403 13.710 ( -3.109 1.384 0.000) 3.403 14.257 ( -3.289 -11.865 0.000) 12.312 14.257 ( -3.289 11.865 0.000) 12.312 14.326 ( -12.615 -11.067 0.000) 16.781 14.326 ( -12.615 11.067 0.000) 16.781 14.815 ( 3.486 -14.508 0.000) 14.921 14.815 ( 3.486 14.508 0.000) 14.921 14.903 ( 1.233 -8.530 0.000) 8.618 14.903 ( 1.233 8.530 0.000) 8.618 15.823 ( 0.484 -5.448 0.000) 5.470 15.823 ( 0.484 5.448 0.000) 5.470 16.120 ( -6.495 -4.945 0.000) 8.164 16.120 ( -6.495 4.945 0.000) 8.164 16.472 ( 3.804 -5.622 0.000) 6.788 16.472 ( 3.804 5.622 0.000) 6.788 16.627 ( -0.011 -8.320 0.000) 8.320 16.627 ( -0.011 8.320 0.000) 8.320 17.712 ( 1.398 -7.986 0.000) 8.107 17.712 ( 1.398 7.986 0.000) 8.107 17.961 ( -8.557 -4.834 0.000) 9.828 17.961 ( -8.557 4.834 0.000) 9.828 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 10.479 -9.157 0.000) 13.916 2.550 ( 10.479 9.157 0.000) 13.916 2.636 ( 1.852 -13.190 0.000) 13.319 2.636 ( 1.852 13.190 0.000) 13.319 3.219 ( -0.727 -7.282 0.000) 7.318 3.219 ( -0.727 7.282 0.000) 7.318 3.274 ( -5.304 -6.221 0.000) 8.175 3.274 ( -5.304 6.221 0.000) 8.175 3.964 ( -4.012 -4.356 0.000) 5.922 3.964 ( -4.012 4.356 0.000) 5.922 3.969 ( -3.489 -2.598 0.000) 4.351 3.969 ( -3.489 2.598 0.000) 4.351 5.538 ( 24.548 -2.084 0.000) 24.636 5.538 ( 24.548 2.084 0.000) 24.636 5.848 ( 19.795 -17.501 0.000) 26.422 5.848 ( 19.795 17.501 0.000) 26.422 5.988 ( -8.686 -10.076 0.000) 13.303 5.988 ( -8.686 10.076 0.000) 13.303 6.160 ( -6.226 -25.975 0.000) 26.711 6.160 ( -6.226 25.975 0.000) 26.711 6.248 ( 0.488 -13.592 0.000) 13.601 6.248 ( 0.488 13.592 0.000) 13.601 6.579 ( -26.576 -4.488 0.000) 26.953 6.579 ( -26.576 4.488 0.000) 26.953 7.239 ( 2.112 -5.888 0.000) 6.256 7.239 ( 2.112 5.888 0.000) 6.256 7.291 ( -3.499 -5.489 0.000) 6.509 7.291 ( -3.499 5.489 0.000) 6.509 9.084 ( 2.576 -9.793 0.000) 10.126 9.084 ( 2.576 9.793 0.000) 10.126 9.112 ( -0.132 -9.275 0.000) 9.276 9.112 ( -0.132 9.275 0.000) 9.276 11.132 ( 7.838 -19.296 0.000) 20.827 11.132 ( 7.838 19.296 0.000) 20.827 11.288 ( -8.283 -17.695 0.000) 19.538 11.288 ( -8.283 17.695 0.000) 19.538 13.185 ( 19.950 -11.574 0.000) 23.064 13.185 ( 19.950 11.574 0.000) 23.064 13.537 ( -15.337 -8.970 0.000) 17.767 13.537 ( -15.337 8.970 0.000) 17.767 14.171 ( -2.528 -10.724 0.000) 11.018 14.171 ( -2.528 10.724 0.000) 11.018 14.190 ( -3.162 -10.753 0.000) 11.208 14.190 ( -3.162 10.753 0.000) 11.208 14.877 ( 2.817 -14.607 0.000) 14.876 14.877 ( 2.817 14.607 0.000) 14.876 14.912 ( -0.692 -12.918 0.000) 12.936 14.912 ( -0.692 12.918 0.000) 12.936 15.874 ( 4.752 -4.764 0.000) 6.729 15.874 ( 4.752 4.764 0.000) 6.729 15.989 ( -6.895 -4.936 0.000) 8.480 15.989 ( -6.895 4.936 0.000) 8.480 16.546 ( 3.698 -6.977 0.000) 7.897 16.546 ( 3.698 6.977 0.000) 7.897 16.605 ( -2.280 -7.998 0.000) 8.316 16.605 ( -2.280 7.998 0.000) 8.316 17.750 ( 2.819 -7.557 0.000) 8.066 17.750 ( 2.819 7.557 0.000) 8.066 17.827 ( -5.439 -6.560 0.000) 8.522 17.827 ( -5.439 6.560 0.000) 8.522 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 0.000 21.329) 21.329 0.766 ( 0.000 0.000 35.547) 35.547 1.164 ( 0.000 0.000 54.420) 54.420 2.596 ( 0.000 0.000 8.135) 8.135 2.938 ( 0.000 0.000 -8.195) 8.195 3.050 ( 0.000 0.000 2.001) 2.001 3.493 ( 0.000 0.000 2.638) 2.638 3.919 ( 0.000 0.000 -12.268) 12.268 3.951 ( 0.000 0.000 -4.486) 4.486 4.112 ( 0.000 0.000 -4.563) 4.563 4.304 ( 0.000 0.000 -7.954) 7.954 4.374 ( 0.000 0.000 1.228) 1.228 4.625 ( 0.000 0.000 7.756) 7.756 4.766 ( 0.000 0.000 3.227) 3.227 4.973 ( 0.000 0.000 9.947) 9.947 5.036 ( 0.000 0.000 -1.806) 1.806 5.151 ( 0.000 0.000 5.296) 5.296 5.175 ( 0.000 0.000 -4.489) 4.489 6.704 ( 0.000 0.000 4.550) 4.550 7.084 ( 0.000 0.000 -7.065) 7.065 7.244 ( 0.000 0.000 -6.698) 6.698 7.266 ( 0.000 0.000 -6.910) 6.910 7.424 ( 0.000 0.000 -5.602) 5.602 7.522 ( 0.000 0.000 -11.299) 11.299 7.534 ( 0.000 0.000 -6.135) 6.135 7.696 ( 0.000 0.000 -3.402) 3.402 7.898 ( 0.000 0.000 6.970) 6.970 7.959 ( 0.000 0.000 5.656) 5.656 8.260 ( 0.000 0.000 0.646) 0.646 8.341 ( 0.000 0.000 13.670) 13.670 8.887 ( 0.000 0.000 -3.539) 3.539 9.315 ( 0.000 0.000 -8.858) 8.858 9.572 ( 0.000 0.000 5.409) 5.409 10.913 ( 0.000 0.000 -2.504) 2.504 11.331 ( 0.000 0.000 3.877) 3.877 12.123 ( 0.000 0.000 -2.880) 2.880 12.190 ( 0.000 0.000 2.794) 2.794 12.244 ( 0.000 0.000 2.523) 2.523 13.527 ( 0.000 0.000 2.504) 2.504 13.539 ( 0.000 0.000 1.701) 1.701 13.659 ( 0.000 0.000 7.458) 7.458 14.321 ( 0.000 0.000 -5.918) 5.918 14.441 ( 0.000 0.000 -8.765) 8.765 14.498 ( 0.000 0.000 -3.696) 3.696 14.891 ( 0.000 0.000 4.363) 4.363 15.106 ( 0.000 0.000 2.464) 2.464 15.556 ( 0.000 0.000 1.531) 1.531 15.628 ( 0.000 0.000 -1.023) 1.023 15.628 ( 0.000 0.000 7.406) 7.406 16.025 ( 0.000 0.000 -6.699) 6.699 16.351 ( 0.000 0.000 4.016) 4.016 16.357 ( 0.000 0.000 -1.861) 1.861 16.381 ( 0.000 0.000 0.924) 0.924 16.435 ( 0.000 0.000 -0.948) 0.948 16.955 ( 0.000 0.000 -4.372) 4.372 17.330 ( 0.000 0.000 0.018) 0.018 17.354 ( 0.000 0.000 -4.157) 4.157 17.384 ( 0.000 0.000 -0.715) 0.715 17.993 ( 0.000 0.000 0.402) 0.402 18.033 ( 0.000 0.000 -0.683) 0.683 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 14.175 0.000 17.174) 22.268 0.718 ( 23.372 0.000 13.993) 27.241 1.798 ( 42.514 0.000 41.682) 59.538 2.620 ( 2.448 0.000 6.853) 7.278 2.938 ( -2.608 0.000 -5.507) 6.093 3.010 ( 1.840 0.000 -2.182) 2.854 3.532 ( 1.235 0.000 0.381) 1.292 3.943 ( -0.850 0.000 -14.314) 14.339 3.974 ( 2.003 0.000 -2.236) 3.002 4.096 ( 0.021 0.000 -5.477) 5.477 4.224 ( -6.686 0.000 3.709) 7.646 4.258 ( -4.643 0.000 -8.205) 9.427 4.675 ( -2.574 0.000 -0.758) 2.684 4.687 ( -12.608 0.000 4.709) 13.459 4.765 ( -2.985 0.000 4.472) 5.377 5.004 ( -8.357 0.000 -2.995) 8.877 5.111 ( 17.833 0.000 15.590) 23.687 5.391 ( 2.785 0.000 4.575) 5.356 6.753 ( 3.861 0.000 3.065) 4.929 7.050 ( -3.514 0.000 -6.404) 7.305 7.165 ( -10.139 0.000 -6.616) 12.106 7.185 ( -5.906 0.000 -5.588) 8.131 7.279 ( -12.317 0.000 -3.842) 12.902 7.447 ( -7.009 0.000 -3.867) 8.005 7.544 ( 2.082 0.000 -8.384) 8.638 7.603 ( -6.921 0.000 -3.933) 7.961 8.000 ( 9.153 0.000 6.355) 11.143 8.087 ( 9.443 0.000 3.187) 9.967 8.098 ( -13.581 0.000 1.834) 13.704 8.191 ( -9.034 0.000 12.922) 15.767 8.957 ( 6.367 0.000 -2.695) 6.914 9.351 ( -0.082 0.000 -0.467) 0.474 9.666 ( 8.457 0.000 -1.261) 8.551 10.886 ( -3.764 0.000 -1.489) 4.048 11.434 ( 5.561 0.000 -1.867) 5.866 12.040 ( -5.259 0.000 0.775) 5.316 12.192 ( 0.587 0.000 1.991) 2.076 12.458 ( 20.135 0.000 -0.911) 20.156 13.560 ( 3.299 0.000 2.587) 4.192 13.587 ( 4.833 0.000 3.101) 5.743 13.643 ( -1.362 0.000 6.445) 6.587 14.226 ( -10.064 0.000 -10.802) 14.763 14.487 ( -0.911 0.000 1.238) 1.537 14.519 ( 3.526 0.000 -13.314) 13.773 14.929 ( 2.214 0.000 1.353) 2.594 15.130 ( -0.038 0.000 1.460) 1.460 15.495 ( -8.718 0.000 3.557) 9.415 15.567 ( 1.101 0.000 1.604) 1.946 15.643 ( 1.139 0.000 6.892) 6.985 16.011 ( -1.481 0.000 -5.377) 5.578 16.324 ( -2.152 0.000 3.026) 3.714 16.333 ( -3.718 0.000 -1.233) 3.917 16.390 ( 0.396 0.000 1.373) 1.429 16.445 ( 0.085 0.000 0.766) 0.771 16.670 ( -9.403 0.000 4.817) 10.565 17.329 ( -0.082 0.000 -0.096) 0.126 17.381 ( -0.302 0.000 -0.453) 0.545 17.568 ( 5.165 0.000 -12.334) 13.372 17.995 ( 0.251 0.000 0.335) 0.419 18.027 ( -0.582 0.000 -0.603) 0.838 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 35.601 0.000 -7.161) 36.314 1.221 ( 28.235 0.000 9.386) 29.755 2.544 ( 29.146 0.000 23.071) 37.172 2.681 ( 3.538 0.000 4.870) 6.020 2.934 ( 8.443 0.000 2.293) 8.749 3.115 ( 7.793 0.000 -5.690) 9.649 3.505 ( -3.526 0.000 -1.682) 3.907 3.838 ( -7.422 0.000 -10.479) 12.841 3.994 ( -0.906 0.000 1.139) 1.455 3.996 ( -8.829 0.000 -3.288) 9.421 4.138 ( -7.669 0.000 -9.552) 12.250 4.368 ( 17.444 0.000 -6.114) 18.484 4.570 ( -7.641 0.000 -1.701) 7.828 4.595 ( -2.929 0.000 -5.554) 6.279 4.621 ( -10.283 0.000 2.429) 10.566 4.840 ( -4.566 0.000 -2.221) 5.077 5.403 ( 1.306 0.000 11.220) 11.296 5.555 ( 25.837 0.000 16.991) 30.923 6.766 ( -6.700 0.000 -4.215) 7.915 6.864 ( -17.301 0.000 -6.574) 18.508 7.006 ( -3.941 0.000 -6.898) 7.944 7.011 ( -15.685 0.000 -2.743) 15.923 7.077 ( -1.795 0.000 1.357) 2.250 7.301 ( -7.856 0.000 -4.322) 8.967 7.474 ( -7.100 0.000 -1.043) 7.176 7.577 ( 0.791 0.000 -7.067) 7.111 7.834 ( -13.865 0.000 1.033) 13.903 8.010 ( -9.041 0.000 5.694) 10.684 8.183 ( 9.222 0.000 4.036) 10.066 8.260 ( 8.160 0.000 2.639) 8.576 9.095 ( 7.528 0.000 -0.647) 7.556 9.353 ( 0.830 0.000 6.318) 6.373 9.823 ( 7.734 0.000 -2.232) 8.049 10.774 ( -7.762 0.000 0.035) 7.762 11.538 ( 6.472 0.000 0.432) 6.487 11.964 ( -3.085 0.000 -0.207) 3.092 12.234 ( 4.405 0.000 -0.102) 4.406 12.900 ( 24.117 0.000 -4.678) 24.566 13.622 ( -0.053 0.000 4.162) 4.162 13.648 ( 5.393 0.000 2.079) 5.779 13.707 ( 6.403 0.000 5.565) 8.483 13.955 ( -16.764 0.000 -13.273) 21.382 14.460 ( -2.118 0.000 5.052) 5.478 14.529 ( -2.305 0.000 -10.921) 11.162 14.929 ( -3.865 0.000 2.887) 4.824 15.016 ( -9.923 0.000 -1.760) 10.078 15.438 ( 2.680 0.000 7.606) 8.064 15.597 ( 2.075 0.000 1.808) 2.752 15.670 ( 1.590 0.000 7.034) 7.211 15.968 ( -3.153 0.000 -2.009) 3.739 16.237 ( -5.044 0.000 1.950) 5.408 16.283 ( -1.863 0.000 1.744) 2.552 16.388 ( -0.653 0.000 1.097) 1.277 16.403 ( -3.712 0.000 1.347) 3.949 16.651 ( 3.971 0.000 -1.683) 4.312 17.328 ( 0.026 0.000 -0.254) 0.255 17.372 ( -0.562 0.000 0.047) 0.564 17.537 ( -6.499 0.000 -7.067) 9.601 18.001 ( 0.272 0.000 0.145) 0.308 18.014 ( -0.668 0.000 -0.386) 0.771 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 28.620 0.000 7.268) 29.529 1.828 ( 31.516 0.000 -6.966) 32.277 2.727 ( 0.232 0.000 4.047) 4.053 2.737 ( 0.712 0.000 -2.396) 2.500 3.263 ( 7.556 0.000 -3.249) 8.225 3.290 ( 7.773 0.000 -3.606) 8.569 3.513 ( 11.782 0.000 8.845) 14.733 3.713 ( -5.273 0.000 -7.743) 9.368 3.814 ( -9.734 0.000 -3.299) 10.278 3.928 ( -4.088 0.000 4.744) 6.262 3.985 ( -7.663 0.000 -9.008) 11.827 4.377 ( -10.214 0.000 1.127) 10.276 4.434 ( -8.584 0.000 -1.642) 8.740 4.438 ( -10.498 0.000 0.601) 10.515 4.799 ( 25.722 0.000 -11.603) 28.218 4.948 ( 13.737 0.000 -10.139) 17.074 5.522 ( 12.160 0.000 12.639) 17.539 6.009 ( 17.000 0.000 12.529) 21.118 6.457 ( -23.449 0.000 -9.679) 25.368 6.513 ( -15.012 0.000 -7.457) 16.762 6.676 ( -19.565 0.000 -0.324) 19.568 6.955 ( -1.749 0.000 -6.151) 6.395 7.136 ( 5.297 0.000 5.745) 7.815 7.162 ( -6.477 0.000 -5.050) 8.213 7.309 ( -10.526 0.000 3.188) 10.998 7.509 ( -9.367 0.000 -2.170) 9.615 7.660 ( -1.548 0.000 -1.813) 2.384 7.865 ( -6.110 0.000 -0.201) 6.113 8.336 ( 6.576 0.000 2.827) 7.158 8.387 ( 4.976 0.000 2.452) 5.547 9.229 ( 6.297 0.000 1.723) 6.528 9.374 ( 0.944 0.000 7.009) 7.073 9.975 ( 8.667 0.000 0.022) 8.667 10.597 ( -10.600 0.000 1.143) 10.661 11.677 ( 7.416 0.000 0.548) 7.436 11.914 ( -2.322 0.000 -0.843) 2.471 12.380 ( 11.249 0.000 -3.036) 11.651 13.320 ( 18.698 0.000 -6.280) 19.724 13.511 ( -22.562 0.000 -11.155) 25.169 13.652 ( 3.296 0.000 -1.949) 3.829 13.767 ( 7.272 0.000 2.451) 7.674 13.922 ( 9.361 0.000 6.823) 11.583 14.397 ( -4.691 0.000 6.730) 8.204 14.429 ( -8.528 0.000 -9.530) 12.789 14.743 ( -10.280 0.000 3.436) 10.839 14.883 ( -6.576 0.000 4.095) 7.747 15.537 ( 6.498 0.000 7.596) 9.997 15.645 ( 2.971 0.000 2.143) 3.663 15.697 ( 1.055 0.000 7.014) 7.092 15.892 ( -4.659 0.000 1.324) 4.843 16.167 ( -2.092 0.000 2.792) 3.489 16.263 ( -0.039 0.000 0.484) 0.485 16.321 ( -4.801 0.000 0.529) 4.830 16.364 ( -1.789 0.000 0.673) 1.911 16.763 ( 7.497 0.000 -2.558) 7.921 17.330 ( 0.258 0.000 -0.210) 0.333 17.360 ( -0.672 0.000 0.348) 0.756 17.365 ( -10.801 0.000 -4.025) 11.527 18.002 ( -0.178 0.000 -0.262) 0.317 18.007 ( -0.052 0.000 0.039) 0.065 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( 24.074 0.000 5.702) 24.740 2.350 ( 22.714 0.000 -4.250) 23.109 2.633 ( -11.595 0.000 4.410) 12.405 2.667 ( -9.736 0.000 -3.677) 10.407 3.281 ( 2.783 0.000 -8.773) 9.204 3.377 ( -2.489 0.000 -7.336) 7.747 3.641 ( -2.062 0.000 -4.825) 5.247 3.641 ( 4.423 0.000 -3.052) 5.373 3.662 ( -4.947 0.000 -3.472) 6.044 3.799 ( -9.728 0.000 -2.636) 10.079 4.060 ( 11.812 0.000 9.683) 15.274 4.250 ( -2.111 0.000 -0.850) 2.276 4.254 ( -9.086 0.000 6.220) 11.011 4.291 ( -5.655 0.000 -1.975) 5.990 5.326 ( 28.639 0.000 -12.498) 31.247 5.343 ( 27.331 0.000 -10.689) 29.347 5.832 ( 11.609 0.000 5.861) 13.004 5.853 ( -24.981 0.000 -9.106) 26.589 5.943 ( -21.699 0.000 -7.745) 23.040 6.274 ( -22.133 0.000 4.056) 22.502 6.630 ( 18.590 0.000 6.431) 19.670 6.907 ( -6.451 0.000 -3.048) 7.135 7.063 ( -3.400 0.000 -4.096) 5.323 7.098 ( -8.554 0.000 4.202) 9.530 7.233 ( 4.816 0.000 4.425) 6.540 7.340 ( -7.112 0.000 1.893) 7.359 7.688 ( 3.282 0.000 -3.702) 4.947 7.766 ( -4.611 0.000 -3.123) 5.569 8.427 ( 2.924 0.000 2.385) 3.773 8.445 ( 1.089 0.000 2.339) 2.580 9.328 ( 3.903 0.000 3.901) 5.518 9.375 ( -1.087 0.000 5.741) 5.843 10.161 ( 10.849 0.000 1.524) 10.956 10.380 ( -11.784 0.000 1.760) 11.915 11.798 ( 4.922 0.000 -0.081) 4.923 11.868 ( -2.735 0.000 -0.635) 2.808 12.665 ( 18.429 0.000 -6.399) 19.508 13.066 ( -23.017 0.000 -9.577) 24.930 13.586 ( 9.544 0.000 -4.815) 10.690 13.692 ( -1.208 0.000 -5.453) 5.585 13.953 ( 12.373 0.000 -3.470) 12.850 14.111 ( 9.754 0.000 8.713) 13.079 14.208 ( -13.566 0.000 -8.363) 15.937 14.279 ( -7.669 0.000 8.133) 11.179 14.650 ( 0.813 0.000 7.602) 7.646 14.742 ( -7.418 0.000 7.918) 10.850 15.650 ( 4.608 0.000 6.681) 8.116 15.701 ( -0.956 0.000 6.751) 6.819 15.712 ( 4.036 0.000 2.609) 4.806 15.798 ( -4.920 0.000 2.714) 5.619 16.163 ( 1.763 0.000 2.415) 2.990 16.228 ( -4.599 0.000 1.216) 4.757 16.281 ( 1.778 0.000 0.103) 1.781 16.323 ( -2.380 0.000 0.292) 2.398 16.933 ( 10.268 0.000 -2.508) 10.570 17.146 ( -11.716 0.000 -2.744) 12.033 17.337 ( 0.472 0.000 0.040) 0.474 17.348 ( -0.620 0.000 0.304) 0.690 18.001 ( 0.128 0.000 -0.165) 0.209 18.005 ( -0.186 0.000 -0.056) 0.194 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.000 16.605 27.969) 32.526 1.046 ( 0.000 22.177 25.722) 33.962 1.610 ( 0.000 45.777 25.200) 52.255 2.419 ( 0.000 -14.490 7.044) 16.111 2.943 ( 0.000 -9.517 3.303) 10.073 3.045 ( 0.000 8.787 -3.914) 9.620 3.475 ( 0.000 -1.114 0.513) 1.226 3.968 ( 0.000 3.666 -12.071) 12.615 3.995 ( 0.000 3.735 -3.720) 5.271 4.043 ( 0.000 -8.094 -4.926) 9.475 4.126 ( 0.000 -10.256 -2.705) 10.606 4.370 ( 0.000 -2.463 4.315) 4.969 4.749 ( 0.000 -6.727 12.859) 14.512 4.772 ( 0.000 7.124 9.492) 11.868 4.940 ( 0.000 -5.163 -1.157) 5.291 5.085 ( 0.000 1.273 7.093) 7.206 5.149 ( 0.000 7.884 -14.051) 16.112 5.263 ( 0.000 16.543 4.366) 17.110 6.581 ( 0.000 -11.196 5.097) 12.302 7.069 ( 0.000 -1.460 -6.330) 6.496 7.191 ( 0.000 -9.941 -4.999) 11.127 7.214 ( 0.000 -2.259 -7.485) 7.818 7.254 ( 0.000 -1.783 -6.047) 6.304 7.405 ( 0.000 -7.697 -4.142) 8.741 7.657 ( 0.000 -1.483 -8.637) 8.763 7.673 ( 0.000 -1.917 -4.587) 4.972 7.940 ( 0.000 -1.348 6.255) 6.399 8.051 ( 0.000 2.728 -8.646) 9.066 8.320 ( 0.000 9.324 10.305) 13.897 8.506 ( 0.000 12.353 2.158) 12.540 8.923 ( 0.000 2.368 -4.251) 4.866 9.287 ( 0.000 -2.778 -6.327) 6.910 9.776 ( 0.000 17.358 3.704) 17.749 10.998 ( 0.000 5.909 -5.445) 8.036 11.297 ( 0.000 -1.716 5.705) 5.957 12.015 ( 0.000 -6.769 0.498) 6.787 12.207 ( 0.000 1.490 2.785) 3.159 12.263 ( 0.000 1.614 2.697) 3.143 13.569 ( 0.000 3.848 3.089) 4.934 13.571 ( 0.000 2.719 1.853) 3.290 13.740 ( 0.000 7.764 6.899) 10.386 14.340 ( 0.000 -5.478 -9.133) 10.650 14.349 ( 0.000 2.268 -6.418) 6.807 14.589 ( 0.000 4.505 -1.334) 4.699 14.895 ( 0.000 0.508 2.303) 2.358 15.027 ( 0.000 -5.544 3.576) 6.598 15.464 ( 0.000 -11.627 4.621) 12.511 15.499 ( 0.000 -9.616 2.747) 10.000 15.627 ( 0.000 3.373 4.236) 5.415 16.062 ( 0.000 3.006 -6.851) 7.481 16.345 ( 0.000 -1.118 -2.128) 2.404 16.345 ( 0.000 -1.211 2.792) 3.044 16.381 ( 0.000 0.034 0.897) 0.897 16.440 ( 0.000 0.627 0.189) 0.655 16.641 ( 0.000 -18.810 12.624) 22.654 16.877 ( 0.000 -6.525 -3.370) 7.344 17.379 ( 0.000 4.401 0.031) 4.401 17.954 ( 0.000 -3.554 0.322) 3.569 18.091 ( 0.000 4.742 -1.788) 5.068 18.149 ( 0.000 18.156 -23.919) 30.029 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 7.134 17.827 15.077) 24.413 1.271 ( 12.910 30.539 11.496) 35.092 2.065 ( 36.607 27.110 30.466) 54.801 2.462 ( 4.497 -13.552 5.182) 15.190 2.890 ( -3.710 -6.292 1.553) 7.467 3.064 ( 1.993 6.412 -3.674) 7.654 3.498 ( 0.737 -2.365 -0.419) 2.512 3.962 ( -4.199 -0.544 -9.879) 10.748 3.987 ( -3.580 -7.832 -5.338) 10.131 4.020 ( 0.146 0.661 -3.906) 3.964 4.107 ( 2.876 -2.401 -5.497) 6.652 4.325 ( -3.136 1.492 3.038) 4.614 4.618 ( -6.763 -3.442 2.989) 8.156 4.812 ( -4.581 -0.551 0.189) 4.618 4.994 ( -6.122 17.308 -5.869) 19.274 5.040 ( 10.632 2.988 7.638) 13.428 5.194 ( 1.098 7.657 5.105) 9.268 5.279 ( 4.254 0.190 9.084) 10.033 6.625 ( 4.011 -11.277 4.193) 12.683 7.035 ( -3.546 -1.399 -5.844) 6.977 7.114 ( -7.226 -7.214 -6.215) 11.953 7.129 ( -9.022 -3.561 -6.191) 11.507 7.168 ( -8.052 -2.531 -4.367) 9.504 7.415 ( 0.639 -7.459 -4.263) 8.615 7.548 ( -9.730 1.341 -5.885) 11.450 7.615 ( -4.657 -0.896 -5.309) 7.119 7.902 ( -5.512 -5.839 2.079) 8.294 8.019 ( -4.037 -4.146 1.910) 6.094 8.311 ( 0.696 14.101 5.807) 15.266 8.430 ( -1.740 16.377 4.472) 17.065 8.984 ( 5.704 1.795 -3.033) 6.705 9.326 ( 1.345 -3.119 -1.579) 3.746 9.838 ( 6.468 15.922 1.290) 17.234 10.988 ( -2.529 8.264 -3.995) 9.521 11.363 ( 4.914 -5.353 1.823) 7.492 11.975 ( -3.287 -5.085 0.203) 6.058 12.214 ( 1.220 1.873 2.230) 3.158 12.441 ( 17.258 -1.184 0.396) 17.304 13.573 ( 1.837 1.737 3.139) 4.030 13.635 ( 4.894 4.023 2.820) 6.935 13.732 ( -0.595 8.040 5.942) 10.015 14.240 ( -9.146 0.757 -11.112) 14.411 14.405 ( 3.100 -3.267 -6.310) 7.753 14.598 ( -0.400 3.923 -2.610) 4.729 14.902 ( 0.572 -2.054 2.256) 3.104 15.063 ( 1.761 -4.714 2.361) 5.559 15.400 ( -7.528 -8.094 3.726) 11.665 15.480 ( 1.434 -11.615 4.675) 12.602 15.633 ( 0.609 3.110 4.242) 5.295 16.047 ( -1.486 3.117 -5.397) 6.407 16.288 ( -4.960 -3.837 0.734) 6.314 16.332 ( -1.809 0.251 1.847) 2.597 16.389 ( 0.340 -0.128 1.360) 1.408 16.453 ( -0.330 0.793 0.951) 1.282 16.555 ( -2.024 -8.221 3.668) 9.227 17.010 ( 7.825 -14.275 -0.904) 16.304 17.379 ( 0.095 4.465 -0.001) 4.466 17.956 ( -0.274 -2.807 -0.351) 2.842 17.983 ( -9.688 12.415 -10.031) 18.671 18.111 ( -2.404 7.690 -6.024) 10.060 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 30.091 9.613 -4.183) 31.865 1.575 ( 18.819 22.883 7.319) 30.518 2.571 ( 7.556 -8.647 2.329) 11.717 2.734 ( 18.935 13.328 14.479) 27.309 2.896 ( 15.059 -1.529 7.373) 16.837 3.126 ( 4.617 2.006 -3.329) 6.035 3.462 ( -4.556 -3.206 -1.566) 5.787 3.839 ( -6.534 -1.977 -7.926) 10.460 3.883 ( -6.063 -8.064 -4.668) 11.117 4.010 ( -2.888 2.377 -0.766) 3.818 4.110 ( -6.019 -1.074 -6.389) 8.843 4.416 ( 14.666 3.288 -4.728) 15.756 4.506 ( -9.248 -3.095 -4.291) 10.655 4.718 ( -0.137 0.746 -3.769) 3.844 4.811 ( -8.796 15.145 -5.596) 18.386 5.047 ( -6.412 22.000 1.185) 22.946 5.369 ( 6.957 -0.348 13.086) 14.824 5.512 ( 24.132 -3.732 16.560) 29.505 6.669 ( -3.608 -8.220 -2.083) 9.216 6.856 ( -15.631 -1.827 -6.180) 16.907 6.932 ( -9.176 -5.864 -6.108) 12.486 6.964 ( -10.011 -4.134 -2.704) 11.164 7.024 ( -2.665 -2.487 -1.351) 3.887 7.347 ( -8.572 1.972 -3.504) 9.468 7.417 ( -3.630 -4.613 -2.445) 6.359 7.528 ( -3.960 -3.297 -5.440) 7.493 7.716 ( -12.463 -8.364 -0.198) 15.011 7.892 ( -8.204 -7.923 4.733) 12.348 8.379 ( 5.705 14.191 3.437) 15.676 8.474 ( 4.639 15.019 2.261) 15.881 9.111 ( 6.994 0.814 -0.825) 7.089 9.343 ( 1.071 -1.837 4.918) 5.358 9.979 ( 7.550 14.467 -0.709) 16.334 10.894 ( -7.087 10.484 -1.433) 12.736 11.465 ( 6.153 -6.586 1.172) 9.089 11.913 ( -3.086 -4.440 -0.935) 5.488 12.272 ( 5.406 3.284 0.254) 6.330 12.835 ( 22.096 -5.560 -3.183) 23.006 13.632 ( 4.046 0.535 4.016) 5.726 13.716 ( 1.521 7.620 1.367) 7.890 13.748 ( 2.736 2.637 4.283) 5.726 14.006 ( -13.295 4.996 -11.755) 18.436 14.434 ( -0.287 -2.156 -3.627) 4.229 14.560 ( -3.381 2.690 -1.686) 4.638 14.882 ( -4.550 -3.943 3.545) 6.987 14.996 ( -7.849 -1.535 -1.590) 8.154 15.346 ( 2.970 -8.126 7.792) 11.644 15.519 ( 2.443 -11.228 5.361) 12.680 15.649 ( 1.096 2.429 3.877) 4.705 16.004 ( -3.134 3.256 -1.950) 4.921 16.181 ( -5.349 -4.768 2.455) 7.574 16.298 ( -1.385 1.027 1.156) 2.076 16.370 ( -2.817 -1.351 1.919) 3.666 16.424 ( -1.197 1.616 0.118) 2.015 16.599 ( 4.624 -4.181 -1.502) 6.412 17.107 ( 2.341 -14.208 -0.718) 14.417 17.383 ( 0.306 4.659 -0.046) 4.670 17.775 ( -10.578 11.742 -6.091) 16.937 17.964 ( 0.367 -3.441 0.159) 3.464 18.061 ( -2.685 3.417 -1.861) 4.727 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 29.493 5.191 -3.996) 30.212 1.964 ( 21.127 11.529 3.731) 24.355 2.706 ( 5.426 -3.423 2.026) 6.727 2.800 ( 0.654 4.439 -3.491) 5.685 3.233 ( 5.992 -2.545 -3.123) 7.220 3.297 ( 5.456 1.078 -1.962) 5.898 3.358 ( -1.302 -10.595 2.103) 10.880 3.699 ( -9.097 -5.045 -4.566) 11.360 3.834 ( -0.886 4.034 -0.318) 4.142 3.934 ( 0.212 1.080 0.991) 1.481 3.957 ( -8.616 0.269 -2.830) 9.073 4.262 ( -12.636 -3.348 -0.475) 13.080 4.623 ( -4.533 15.011 -2.578) 15.891 4.818 ( 24.578 1.791 -11.051) 27.008 4.825 ( -0.753 20.270 -3.512) 20.585 5.003 ( 8.801 9.330 -6.396) 14.332 5.549 ( 13.160 3.524 13.335) 19.064 5.971 ( 19.771 -3.812 13.347) 24.157 6.391 ( -20.808 -4.404 -10.223) 23.598 6.519 ( -18.272 -0.742 -7.072) 19.607 6.665 ( -17.797 -0.217 -1.083) 17.832 6.910 ( 0.358 -5.854 -4.314) 7.281 7.031 ( 1.994 -6.142 4.728) 8.004 7.206 ( -5.540 2.072 -4.140) 7.220 7.279 ( -10.295 -2.485 2.498) 10.881 7.406 ( -10.234 -7.955 -0.879) 12.992 7.560 ( -1.659 -8.640 -3.584) 9.500 7.744 ( -6.790 -9.278 0.808) 11.525 8.493 ( 5.578 12.313 2.680) 13.780 8.560 ( 3.676 13.228 1.807) 13.847 9.236 ( 5.885 -0.003 1.598) 6.098 9.366 ( 1.056 -1.335 6.257) 6.484 10.127 ( 8.373 13.886 0.147) 16.216 10.727 ( -10.208 11.516 0.110) 15.390 11.595 ( 6.984 -7.470 0.578) 10.243 11.857 ( -2.901 -5.134 -1.340) 6.047 12.437 ( 12.047 4.900 -2.768) 13.296 13.235 ( 18.997 -7.494 -5.718) 21.207 13.536 ( -19.531 2.320 -9.396) 21.797 13.727 ( 3.724 4.426 2.026) 6.128 13.778 ( 4.313 3.484 -1.000) 5.634 13.944 ( 3.666 2.282 3.761) 5.726 14.387 ( -4.728 -0.688 -3.832) 6.125 14.477 ( -5.081 3.562 1.337) 6.347 14.715 ( -8.920 -2.344 4.385) 10.212 14.873 ( -6.165 -0.654 4.402) 7.604 15.447 ( 6.248 -7.976 7.282) 12.477 15.565 ( 2.118 -10.938 6.566) 12.932 15.679 ( 2.275 2.181 3.035) 4.375 15.927 ( -4.851 3.131 1.253) 5.908 16.105 ( -2.178 -4.926 2.783) 6.062 16.275 ( -2.883 -1.016 0.080) 3.057 16.308 ( -1.465 1.076 1.203) 2.180 16.402 ( -1.437 2.836 0.195) 3.185 16.708 ( 6.786 -4.605 -2.157) 8.480 17.104 ( -2.633 -12.332 -0.953) 12.646 17.392 ( 0.720 5.124 -0.077) 5.174 17.591 ( -8.365 9.998 -2.727) 13.318 17.970 ( 0.318 -3.228 -0.018) 3.244 18.015 ( -1.959 0.609 -0.799) 2.201 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 17.571 2.928 3.311) 18.118 2.342 ( 16.733 0.313 -2.663) 16.947 2.704 ( -3.651 5.165 0.342) 6.334 2.783 ( -6.334 8.730 -1.895) 10.951 3.234 ( 1.921 -7.740 -8.302) 11.512 3.333 ( -3.006 -4.225 -8.595) 10.038 3.384 ( 4.592 -12.758 -0.359) 13.564 3.511 ( -8.996 -8.366 -0.685) 12.304 3.750 ( -2.500 4.442 -2.611) 5.727 3.802 ( -6.772 1.016 -3.025) 7.486 4.031 ( 3.103 -0.423 3.496) 4.694 4.088 ( -5.067 -2.859 0.969) 5.899 4.636 ( 4.680 25.289 1.255) 25.749 4.738 ( -5.524 28.231 1.488) 28.805 5.321 ( 27.032 0.208 -13.125) 30.051 5.380 ( 27.602 2.641 -10.575) 29.676 5.844 ( -24.517 -0.662 -9.838) 26.425 5.866 ( 14.278 3.589 7.715) 16.621 5.955 ( -23.137 0.701 -7.979) 24.484 6.283 ( -21.520 1.605 4.571) 22.059 6.566 ( 19.033 -5.749 6.777) 21.005 6.871 ( -8.557 -3.546 -1.338) 9.358 7.029 ( -1.158 -5.224 0.939) 5.432 7.084 ( -7.106 -1.444 2.619) 7.710 7.171 ( 1.747 -3.800 0.750) 4.249 7.243 ( -5.947 -8.130 1.621) 10.203 7.573 ( 2.320 -9.102 -3.902) 10.171 7.639 ( -4.410 -9.962 -2.475) 11.172 8.577 ( 2.977 11.839 2.227) 12.409 8.601 ( 0.493 12.244 1.947) 12.407 9.328 ( 3.610 -0.589 3.699) 5.202 9.370 ( -0.895 -0.994 5.339) 5.504 10.306 ( 10.418 13.109 0.954) 16.772 10.517 ( -11.391 12.282 0.907) 16.776 11.714 ( 5.335 -7.526 -0.279) 9.230 11.797 ( -3.549 -6.417 -0.986) 7.399 12.728 ( 18.245 5.528 -6.202) 20.047 13.116 ( -21.869 4.532 -9.378) 24.223 13.564 ( 14.398 -3.965 -6.791) 16.405 13.751 ( -3.544 5.088 -5.973) 8.610 13.877 ( 5.258 -3.519 0.866) 6.385 13.962 ( -2.898 -7.322 3.757) 8.725 14.310 ( -0.508 4.783 -0.271) 4.817 14.373 ( -5.449 5.067 2.962) 8.009 14.645 ( 1.795 0.304 8.556) 8.747 14.742 ( -7.005 0.487 8.151) 10.759 15.549 ( 3.866 -8.972 6.460) 11.712 15.587 ( -0.185 -10.188 6.841) 12.273 15.740 ( 4.003 2.292 2.755) 5.373 15.829 ( -5.163 2.698 2.572) 6.368 16.107 ( 2.387 -4.251 2.302) 5.391 16.184 ( -5.135 -3.145 1.260) 6.152 16.325 ( 1.969 3.277 0.278) 3.833 16.367 ( -2.201 3.385 0.242) 4.045 16.854 ( 8.314 -6.373 -2.012) 10.667 17.008 ( -7.142 -9.444 -1.542) 11.940 17.414 ( 1.754 6.165 -0.196) 6.413 17.469 ( -4.385 8.125 -0.841) 9.271 17.976 ( 0.384 -2.644 -0.177) 2.678 17.988 ( -0.940 -1.445 -0.368) 1.763 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 14.043 28.780) 32.023 1.590 ( 0.000 26.557 16.142) 31.078 2.042 ( 0.000 -19.055 11.613) 22.315 2.586 ( 0.000 4.305 5.282) 6.814 2.723 ( 0.000 23.335 6.890) 24.331 3.283 ( 0.000 12.446 -1.832) 12.580 3.470 ( 0.000 1.124 -3.015) 3.218 3.761 ( 0.000 -12.883 -5.791) 14.125 3.909 ( 0.000 -10.522 1.808) 10.676 3.988 ( 0.000 -6.093 -9.580) 11.353 4.155 ( 0.000 7.895 -2.484) 8.277 4.269 ( 0.000 -3.390 7.282) 8.033 4.585 ( 0.000 -5.764 3.944) 6.984 4.772 ( 0.000 -9.705 -3.477) 10.309 4.905 ( 0.000 5.470 8.940) 10.481 5.070 ( 0.000 -1.915 7.960) 8.187 5.424 ( 0.000 15.146 -5.236) 16.025 5.809 ( 0.000 28.961 1.152) 28.984 6.255 ( 0.000 -16.512 6.401) 17.709 6.978 ( 0.000 -12.053 -0.797) 12.079 7.028 ( 0.000 -1.810 -6.187) 6.447 7.155 ( 0.000 -9.648 -4.966) 10.851 7.172 ( 0.000 -1.190 -7.772) 7.862 7.226 ( 0.000 -5.079 -6.716) 8.421 7.608 ( 0.000 -1.560 -8.335) 8.480 7.629 ( 0.000 -1.832 -6.260) 6.522 7.917 ( 0.000 -0.597 6.241) 6.270 7.985 ( 0.000 -4.416 0.899) 4.507 8.595 ( 0.000 12.664 -0.290) 12.667 8.782 ( 0.000 12.606 2.615) 12.874 8.938 ( 0.000 -1.900 -5.516) 5.834 9.192 ( 0.000 -6.035 -1.031) 6.122 10.223 ( 0.000 21.939 1.107) 21.967 10.969 ( 0.000 -9.701 -4.011) 10.498 11.407 ( 0.000 11.656 2.543) 11.930 11.865 ( 0.000 -7.589 -0.735) 7.625 12.247 ( 0.000 2.042 2.723) 3.404 12.293 ( 0.000 0.686 2.752) 2.836 13.649 ( 0.000 4.113 2.162) 4.647 13.676 ( 0.000 4.961 4.465) 6.674 13.995 ( 0.000 15.159 5.628) 16.170 14.247 ( 0.000 -2.309 -10.540) 10.790 14.404 ( 0.000 2.729 -8.145) 8.590 14.658 ( 0.000 1.694 5.900) 6.138 14.884 ( 0.000 -7.718 5.963) 9.753 14.903 ( 0.000 -2.498 -3.998) 4.714 15.134 ( 0.000 -14.412 6.374) 15.758 15.274 ( 0.000 -10.012 1.369) 10.105 15.752 ( 0.000 7.940 2.772) 8.410 16.138 ( 0.000 2.624 -7.133) 7.601 16.228 ( 0.000 -9.239 3.430) 9.855 16.309 ( 0.000 -2.224 -3.170) 3.873 16.382 ( 0.000 0.066 1.090) 1.092 16.409 ( 0.000 -2.628 5.075) 5.715 16.483 ( 0.000 2.245 0.924) 2.427 16.714 ( 0.000 -7.785 -1.265) 7.887 17.509 ( 0.000 7.351 0.067) 7.351 17.842 ( 0.000 -6.617 0.234) 6.621 18.206 ( 0.000 5.306 -4.298) 6.828 18.325 ( 0.000 1.781 -13.946) 14.059 ======================= Grid point 82 (32/100) ======================= q-point: ( 0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 4.919 19.462 13.676) 24.290 1.794 ( 13.681 21.283 15.199) 29.515 2.095 ( 6.069 -19.183 7.500) 21.473 2.640 ( 3.433 -12.807 5.971) 14.542 2.864 ( 15.452 35.380 8.468) 39.525 3.259 ( -2.328 10.420 -2.776) 11.032 3.474 ( -0.139 1.353 -2.206) 2.592 3.723 ( -2.642 -10.856 -5.624) 12.508 3.855 ( -4.920 -9.240 0.596) 10.485 4.046 ( 4.551 -5.418 -8.692) 11.208 4.163 ( -0.016 7.397 -3.224) 8.069 4.321 ( 4.953 -0.288 4.043) 6.400 4.541 ( -3.228 -3.280 -0.922) 4.694 4.706 ( -5.161 -7.579 -2.312) 9.456 5.022 ( 11.160 -0.771 12.126) 16.498 5.089 ( -0.279 -3.629 3.855) 5.301 5.436 ( 2.879 18.229 0.959) 18.480 5.782 ( -2.934 30.523 1.595) 30.705 6.295 ( 4.041 -17.817 5.690) 19.135 6.922 ( -5.673 -12.087 -1.227) 13.409 6.999 ( -2.875 -1.690 -5.758) 6.654 7.053 ( -9.379 -3.462 -8.383) 13.047 7.118 ( -7.495 -1.910 -5.369) 9.416 7.229 ( 1.496 -9.035 -5.661) 10.766 7.540 ( -6.913 -0.662 -6.313) 9.385 7.577 ( -5.062 -2.004 -5.965) 8.076 7.820 ( -9.788 -1.792 1.701) 10.095 7.899 ( -7.796 -5.143 4.838) 10.518 8.622 ( 2.674 13.234 -0.074) 13.502 8.763 ( -0.084 13.819 2.492) 14.043 8.992 ( 4.799 -1.805 -3.199) 6.044 9.217 ( 1.919 -6.704 1.137) 7.065 10.274 ( 5.171 22.188 0.556) 22.790 11.037 ( 5.597 -8.866 -5.074) 11.648 11.376 ( -3.072 10.296 2.834) 11.112 11.840 ( -2.560 -7.645 -1.151) 8.144 12.269 ( 2.806 3.105 2.408) 4.829 12.405 ( 11.123 -2.315 1.576) 11.470 13.640 ( 0.364 4.226 2.848) 5.109 13.727 ( 3.769 3.178 3.959) 6.323 13.983 ( -1.149 14.378 3.090) 14.751 14.259 ( -0.235 2.163 -8.978) 9.238 14.381 ( -1.537 0.798 -8.965) 9.130 14.669 ( -0.087 2.268 4.388) 4.940 14.843 ( -2.622 -4.783 0.640) 5.492 14.954 ( 3.546 -5.521 2.483) 7.016 15.147 ( 1.474 -15.902 6.747) 17.337 15.195 ( -7.219 -9.324 2.053) 11.969 15.748 ( -0.446 7.181 2.947) 7.775 16.121 ( -2.443 -0.941 -4.077) 4.845 16.166 ( -4.048 -3.033 1.340) 5.232 16.326 ( -0.198 -1.586 -0.612) 1.712 16.383 ( -0.603 -0.452 1.820) 1.970 16.405 ( 0.865 -3.798 0.344) 3.911 16.494 ( 1.261 2.728 1.377) 3.305 16.760 ( 3.898 -9.699 -0.394) 10.460 17.511 ( 0.237 7.405 0.033) 7.409 17.845 ( 0.293 -6.604 0.179) 6.613 18.151 ( -6.104 5.448 -5.148) 9.666 18.243 ( -6.987 2.684 -9.714) 12.263 ======================= Grid point 83 (33/100) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 21.946 15.274 -1.409) 26.775 2.022 ( 10.750 17.241 7.629) 21.703 2.280 ( 12.742 -15.397 2.373) 20.126 2.712 ( 4.547 -10.455 4.083) 12.110 3.174 ( 9.573 13.845 2.023) 16.953 3.213 ( -0.199 5.338 -3.329) 6.294 3.426 ( -5.489 1.699 -0.376) 5.758 3.727 ( -4.406 -7.293 -3.097) 9.067 3.757 ( 4.777 0.322 1.728) 5.090 4.088 ( -1.838 -1.950 -5.457) 6.080 4.119 ( -4.851 6.918 -2.705) 8.871 4.410 ( -6.560 -4.672 -4.101) 9.038 4.510 ( 10.309 3.770 -5.547) 12.298 4.682 ( 5.638 -3.108 -4.222) 7.698 5.023 ( -2.972 4.903 0.233) 5.739 5.349 ( 21.252 -7.327 14.490) 26.745 5.549 ( 7.922 17.065 8.739) 20.744 5.702 ( -4.922 31.097 2.446) 31.579 6.390 ( 4.516 -17.534 3.145) 18.378 6.762 ( -11.573 -9.585 -4.592) 15.713 6.818 ( -14.708 -2.166 -7.140) 16.493 6.870 ( -10.876 -4.248 -2.187) 11.879 6.998 ( -2.659 0.338 -5.438) 6.063 7.263 ( 1.521 -9.691 -4.828) 10.933 7.379 ( -8.912 -0.023 -4.073) 9.799 7.446 ( -8.547 -3.798 -4.674) 10.456 7.567 ( -16.017 -2.643 0.513) 16.242 7.723 ( -10.092 -7.087 4.537) 13.140 8.691 ( 4.436 13.565 1.387) 14.339 8.800 ( 3.313 13.909 1.767) 14.407 9.096 ( 5.705 -2.746 -0.485) 6.350 9.256 ( 2.214 -6.074 4.385) 7.811 10.394 ( 6.763 21.975 -0.301) 22.994 11.123 ( 1.462 1.796 -5.564) 6.027 11.315 ( -1.525 0.353 3.687) 4.005 11.776 ( -3.912 -8.349 -1.803) 9.395 12.368 ( 7.946 5.596 0.594) 9.737 12.683 ( 17.024 -7.972 -0.865) 18.818 13.670 ( 2.638 2.898 2.857) 4.850 13.777 ( -0.550 -0.147 2.106) 2.182 13.955 ( -1.147 13.291 -1.738) 13.453 14.186 ( -6.656 11.886 -7.160) 15.390 14.374 ( 0.114 -3.773 -7.039) 7.987 14.627 ( -4.043 2.364 1.711) 4.986 14.783 ( -4.603 -4.335 3.912) 7.436 14.960 ( -4.527 -1.496 0.270) 4.775 15.122 ( 2.908 -11.495 7.742) 14.161 15.192 ( 3.117 -16.763 7.413) 18.592 15.739 ( -0.280 5.516 3.008) 6.289 16.040 ( -4.599 -6.764 2.080) 8.440 16.105 ( -3.433 4.729 -1.087) 5.944 16.300 ( -2.663 -2.031 -0.121) 3.352 16.353 ( -0.985 0.822 1.502) 1.975 16.450 ( 2.635 -1.044 -2.223) 3.602 16.528 ( 2.371 0.326 1.219) 2.686 16.827 ( 2.583 -11.395 0.183) 11.686 17.519 ( 0.596 7.545 -0.048) 7.568 17.853 ( 0.460 -6.448 -0.025) 6.464 17.980 ( -10.449 7.100 -5.222) 13.670 18.115 ( -6.212 0.929 -3.783) 7.332 ======================= Grid point 84 (34/100) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 24.288 9.052 -4.666) 26.337 2.227 ( 10.860 11.344 2.594) 15.917 2.540 ( 13.199 -10.234 0.999) 16.732 2.816 ( 6.376 -6.408 -0.088) 9.040 3.133 ( -6.017 -3.315 -5.296) 8.674 3.262 ( -2.153 -1.232 -4.308) 4.972 3.301 ( -4.931 2.104 -1.468) 5.558 3.565 ( -9.998 -6.905 -1.879) 12.295 3.930 ( 2.050 4.892 -0.373) 5.317 3.994 ( -6.822 3.471 -3.269) 8.323 4.010 ( -2.280 3.679 2.311) 4.907 4.200 ( -11.211 -3.089 -1.528) 11.728 4.844 ( 20.844 3.107 -11.486) 24.001 4.915 ( 19.489 2.649 -8.202) 21.310 5.076 ( 9.278 17.188 -0.575) 19.541 5.566 ( -4.902 30.609 0.205) 31.000 5.724 ( 11.611 12.878 12.035) 21.107 5.833 ( 22.867 -7.840 14.282) 28.077 6.294 ( -17.953 -5.199 -9.547) 20.988 6.486 ( -19.537 -1.519 -5.600) 20.381 6.620 ( -1.543 -13.664 -0.837) 13.777 6.674 ( -8.162 -5.678 2.827) 10.337 6.954 ( -3.868 -1.758 -2.457) 4.908 7.175 ( -13.579 -10.278 -1.254) 17.076 7.230 ( -8.301 -2.361 0.917) 8.678 7.280 ( -10.311 2.137 -1.369) 10.619 7.332 ( 0.039 -9.542 -5.448) 10.988 7.540 ( -8.339 -8.612 1.106) 12.039 8.782 ( 4.777 13.264 2.214) 14.270 8.863 ( 2.747 13.557 1.775) 13.946 9.198 ( 4.851 -3.958 1.762) 6.504 9.296 ( 1.649 -5.341 5.038) 7.525 10.527 ( 7.415 21.456 -0.267) 22.703 11.045 ( -8.053 16.118 -2.239) 18.156 11.367 ( 5.528 -12.986 0.853) 14.140 11.694 ( -4.746 -10.076 -1.917) 11.302 12.578 ( 13.953 8.073 -2.454) 16.306 13.024 ( 18.293 -11.214 -3.641) 21.763 13.604 ( -14.772 3.754 -6.902) 16.731 13.746 ( 2.433 -1.223 1.741) 3.232 13.970 ( 1.481 10.804 -0.646) 10.924 14.052 ( -6.895 8.265 -3.624) 11.357 14.363 ( -1.200 -1.837 -2.046) 3.001 14.509 ( -7.788 -3.104 0.411) 8.394 14.704 ( -1.607 3.967 7.591) 8.715 14.880 ( -3.822 2.031 5.542) 7.032 15.212 ( 4.775 -13.485 6.280) 15.623 15.257 ( 3.343 -15.628 8.164) 17.946 15.749 ( 1.645 4.113 2.811) 5.246 15.979 ( -1.266 -5.856 2.661) 6.555 16.020 ( -5.404 4.731 1.174) 7.278 16.220 ( -5.438 -3.476 0.670) 6.488 16.366 ( 1.954 3.591 0.049) 4.089 16.480 ( 0.181 4.056 -0.518) 4.093 16.594 ( 4.667 -4.982 -0.749) 6.868 16.845 ( -0.843 -11.185 -0.050) 11.216 17.536 ( 1.286 7.754 -0.172) 7.862 17.787 ( -8.729 7.841 -2.976) 12.105 17.868 ( 0.648 -6.006 -0.058) 6.041 18.007 ( -4.970 -1.762 -1.788) 5.568 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 13.520 4.195 -2.061) 14.305 2.417 ( 7.550 6.176 0.426) 9.764 2.728 ( 7.184 -5.413 -1.367) 9.099 2.929 ( -10.090 -12.209 -3.443) 16.209 2.986 ( 7.872 4.656 -4.342) 10.124 3.176 ( -7.406 -1.016 -1.855) 7.702 3.278 ( 2.209 -4.682 -5.361) 7.452 3.379 ( -8.101 -5.235 -2.626) 9.997 3.854 ( -3.323 4.528 -0.692) 5.659 3.867 ( -4.805 5.382 -1.973) 7.480 4.014 ( -0.309 -1.742 0.992) 2.028 4.048 ( -4.447 -1.920 0.483) 4.868 5.219 ( 13.526 20.557 -6.956) 25.572 5.316 ( 15.268 11.102 -10.061) 21.391 5.367 ( 16.785 12.610 -7.194) 22.192 5.520 ( 11.486 19.095 -2.232) 22.394 5.829 ( -22.829 -0.570 -10.494) 25.132 5.973 ( -21.254 2.620 -3.376) 21.679 6.011 ( 14.100 9.683 8.673) 19.178 6.361 ( -15.572 3.622 4.133) 16.513 6.388 ( 17.078 -9.604 7.060) 20.827 6.717 ( 1.560 -15.202 2.877) 15.550 6.790 ( -11.373 -10.798 4.842) 16.413 6.891 ( -12.367 -17.990 4.860) 22.365 7.138 ( -0.548 0.571 -1.530) 1.723 7.168 ( -3.309 2.535 -3.399) 5.379 7.359 ( 2.165 -9.437 -4.413) 10.640 7.419 ( -4.441 -9.116 -2.437) 10.429 8.859 ( 3.056 13.193 2.386) 13.751 8.890 ( -0.053 13.362 2.188) 13.540 9.275 ( 3.004 -4.746 3.280) 6.504 9.309 ( -0.491 -5.050 4.341) 6.678 10.684 ( 9.068 20.382 -0.224) 22.310 10.868 ( -9.906 18.794 -0.720) 21.257 11.482 ( 6.153 -13.804 -0.697) 15.129 11.595 ( -5.577 -12.282 -1.508) 13.573 12.888 ( 18.215 9.131 -5.810) 21.188 13.251 ( -17.998 7.434 -8.715) 21.334 13.380 ( 16.261 -11.180 -5.869) 20.588 13.681 ( -12.002 -10.313 -6.564) 17.131 13.960 ( 1.212 10.580 1.764) 10.794 13.997 ( -1.065 8.312 3.667) 9.147 14.347 ( 0.271 -2.123 1.674) 2.717 14.389 ( -4.234 -4.185 1.655) 6.179 14.724 ( 3.088 7.593 8.458) 11.778 14.800 ( -4.431 5.745 7.958) 10.769 15.282 ( 2.433 -15.094 6.216) 16.504 15.300 ( 0.734 -14.940 7.347) 16.665 15.807 ( 4.358 3.832 2.635) 6.373 15.908 ( -5.900 4.418 2.253) 7.708 16.005 ( 3.756 -4.934 2.374) 6.640 16.106 ( -6.148 -4.110 1.559) 7.558 16.413 ( 2.759 4.933 -0.033) 5.652 16.461 ( -1.969 5.373 0.089) 5.723 16.697 ( 5.698 -7.641 -1.212) 9.608 16.795 ( -4.235 -9.706 -0.685) 10.612 17.573 ( 2.774 8.040 -0.465) 8.518 17.650 ( -5.538 8.258 -1.270) 10.023 17.888 ( 1.522 -5.492 -0.355) 5.710 17.931 ( -3.036 -4.035 -0.838) 5.119 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.000 -17.810 19.549) 26.446 1.630 ( 0.000 17.810 19.549) 26.446 2.157 ( 0.000 -24.569 10.886) 26.873 2.157 ( 0.000 24.569 10.886) 26.873 3.430 ( 0.000 -13.145 -5.515) 14.255 3.430 ( 0.000 13.145 -5.515) 14.255 3.555 ( 0.000 -6.227 -4.817) 7.873 3.555 ( 0.000 6.227 -4.817) 7.873 3.717 ( 0.000 -2.702 4.976) 5.662 3.717 ( 0.000 2.702 4.976) 5.662 4.268 ( 0.000 -0.549 1.792) 1.874 4.268 ( 0.000 0.549 1.792) 1.874 4.575 ( 0.000 -6.163 -3.634) 7.155 4.575 ( 0.000 6.163 -3.634) 7.155 5.007 ( 0.000 -3.897 8.416) 9.274 5.007 ( 0.000 3.897 8.416) 9.274 5.789 ( 0.000 -18.325 1.358) 18.375 5.789 ( 0.000 18.325 1.358) 18.375 6.528 ( 0.000 -28.081 3.163) 28.259 6.528 ( 0.000 28.081 3.163) 28.259 7.020 ( 0.000 -1.879 -7.594) 7.823 7.020 ( 0.000 1.879 -7.594) 7.823 7.170 ( 0.000 -1.119 -6.843) 6.934 7.170 ( 0.000 1.119 -6.843) 6.934 7.601 ( 0.000 -0.674 -7.530) 7.560 7.601 ( 0.000 0.674 -7.530) 7.560 7.922 ( 0.000 -1.352 4.767) 4.956 7.922 ( 0.000 1.352 4.767) 4.956 8.825 ( 0.000 -8.343 -4.494) 9.477 8.825 ( 0.000 8.343 -4.494) 9.477 9.025 ( 0.000 -9.549 2.292) 9.820 9.025 ( 0.000 9.549 2.292) 9.820 10.662 ( 0.000 -17.928 -0.894) 17.950 10.662 ( 0.000 17.928 -0.894) 17.950 11.667 ( 0.000 -11.010 -0.779) 11.038 11.667 ( 0.000 11.010 -0.779) 11.038 12.285 ( 0.000 -1.250 2.697) 2.972 12.285 ( 0.000 1.250 2.697) 2.972 13.720 ( 0.000 -1.449 3.711) 3.984 13.720 ( 0.000 1.449 3.711) 3.984 14.237 ( 0.000 -2.116 -5.848) 6.219 14.237 ( 0.000 2.116 -5.848) 6.219 14.558 ( 0.000 -14.434 -0.624) 14.448 14.558 ( 0.000 14.434 -0.624) 14.448 14.749 ( 0.000 -2.196 7.440) 7.757 14.749 ( 0.000 2.196 7.440) 7.757 15.101 ( 0.000 -5.724 -0.058) 5.724 15.101 ( 0.000 5.724 -0.058) 5.724 15.961 ( 0.000 -11.081 1.868) 11.237 15.961 ( 0.000 11.081 1.868) 11.237 16.245 ( 0.000 -3.686 -4.496) 5.814 16.245 ( 0.000 3.686 -4.496) 5.814 16.386 ( 0.000 -0.386 1.976) 2.013 16.386 ( 0.000 0.386 1.976) 2.013 16.567 ( 0.000 -5.464 0.729) 5.512 16.567 ( 0.000 5.464 0.729) 5.512 17.680 ( 0.000 -8.113 0.135) 8.114 17.680 ( 0.000 8.113 0.135) 8.114 18.301 ( 0.000 -3.206 -7.927) 8.551 18.301 ( 0.000 3.206 -7.927) 8.551 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 6.054 -19.517 11.550) 23.473 1.673 ( 6.054 19.517 11.550) 23.473 2.250 ( 8.093 -20.610 10.501) 24.506 2.250 ( 8.093 20.610 10.501) 24.506 3.376 ( -4.348 -5.610 -6.820) 9.843 3.376 ( -4.348 5.610 -6.820) 9.843 3.598 ( -0.056 -7.140 -1.247) 7.248 3.598 ( -0.056 7.140 -1.247) 7.248 3.769 ( 7.934 -14.890 2.909) 17.121 3.769 ( 7.934 14.890 2.909) 17.121 4.304 ( 2.748 -3.836 -1.169) 4.861 4.304 ( 2.748 3.836 -1.169) 4.861 4.544 ( -2.111 -5.332 -2.744) 6.358 4.544 ( -2.111 5.332 -2.744) 6.358 5.032 ( 2.907 -1.722 8.430) 9.082 5.032 ( 2.907 1.722 8.430) 9.082 5.839 ( 5.002 -19.108 3.127) 19.998 5.839 ( 5.002 19.108 3.127) 19.998 6.483 ( -4.432 -27.633 2.417) 28.090 6.483 ( -4.432 27.633 2.417) 28.090 6.991 ( -4.126 -1.379 -7.974) 9.084 6.991 ( -4.126 1.379 -7.974) 9.084 7.114 ( -4.654 -1.899 -6.292) 8.054 7.114 ( -4.654 1.899 -6.292) 8.054 7.544 ( -5.817 -0.990 -6.485) 8.767 7.544 ( -5.817 0.990 -6.485) 8.767 7.823 ( -9.575 -1.896 3.951) 10.530 7.823 ( -9.575 1.896 3.951) 10.530 8.858 ( 3.096 -7.938 -3.496) 9.210 8.858 ( 3.096 7.938 -3.496) 9.210 9.042 ( 1.885 -9.374 3.474) 10.173 9.042 ( 1.885 9.374 3.474) 10.173 10.724 ( 5.785 -18.493 -1.201) 19.413 10.724 ( 5.785 18.493 -1.201) 19.413 11.635 ( -3.234 -11.373 -1.059) 11.871 11.635 ( -3.234 11.373 -1.059) 11.871 12.342 ( 5.929 -3.393 2.189) 7.173 12.342 ( 5.929 3.393 2.189) 7.173 13.727 ( 0.729 -2.931 3.250) 4.437 13.727 ( 0.729 2.931 3.250) 4.437 14.242 ( 0.209 -7.182 -5.983) 9.350 14.242 ( 0.209 7.182 -5.983) 9.350 14.552 ( -0.932 -15.391 -1.670) 15.509 14.552 ( -0.932 15.391 -1.670) 15.509 14.780 ( 2.866 -5.393 7.550) 9.711 14.780 ( 2.866 5.393 7.550) 9.711 15.048 ( -4.684 -3.793 1.274) 6.160 15.048 ( -4.684 3.793 1.274) 6.160 15.934 ( -2.560 -9.712 2.264) 10.296 15.934 ( -2.560 9.712 2.264) 10.296 16.250 ( -0.034 -4.662 -3.780) 6.002 16.250 ( -0.034 4.662 -3.780) 6.002 16.377 ( -0.408 -0.229 1.377) 1.455 16.377 ( -0.408 0.229 1.377) 1.455 16.588 ( 1.897 -6.149 0.980) 6.509 16.588 ( 1.897 6.149 0.980) 6.509 17.683 ( 0.306 -8.127 0.097) 8.133 17.683 ( 0.306 8.127 0.097) 8.133 18.239 ( -6.160 -2.509 -6.868) 9.561 18.239 ( -6.160 2.509 -6.868) 9.561 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 15.651 -17.092 0.547) 23.182 1.886 ( 15.651 17.092 0.547) 23.182 2.415 ( 8.626 -15.941 7.605) 19.656 2.415 ( 8.626 15.941 7.605) 19.656 3.279 ( -5.613 -1.181 -7.702) 9.603 3.279 ( -5.613 1.181 -7.702) 9.603 3.537 ( -5.209 -8.172 0.864) 9.729 3.537 ( -5.209 8.172 0.864) 9.729 3.958 ( 8.241 -10.735 0.100) 13.534 3.958 ( 8.241 10.735 0.100) 13.534 4.279 ( -6.611 -7.165 -3.797) 10.463 4.279 ( -6.611 7.165 -3.797) 10.463 4.599 ( 9.847 -4.271 -5.069) 11.870 4.599 ( 9.847 4.271 -5.069) 11.870 5.158 ( 11.797 -8.529 10.366) 17.871 5.158 ( 11.797 8.529 10.366) 17.871 5.960 ( 6.989 -19.954 5.551) 21.859 5.960 ( 6.989 19.954 5.551) 21.859 6.372 ( -6.847 -26.453 0.240) 27.326 6.372 ( -6.847 26.453 0.240) 27.326 6.810 ( -13.990 -1.198 -5.438) 15.057 6.810 ( -13.990 1.198 -5.438) 15.057 7.061 ( -1.343 -6.209 -7.435) 9.779 7.061 ( -1.343 6.209 -7.435) 9.779 7.392 ( -9.768 -1.547 -4.319) 10.792 7.392 ( -9.768 1.547 -4.319) 10.792 7.598 ( -12.896 -4.251 2.963) 13.898 7.598 ( -12.896 4.251 2.963) 13.898 8.932 ( 4.539 -7.334 -1.255) 8.716 8.932 ( 4.539 7.334 -1.255) 8.716 9.093 ( 3.101 -8.089 4.503) 9.763 9.093 ( 3.101 8.089 4.503) 9.763 10.850 ( 6.893 -19.014 -1.268) 20.264 10.850 ( 6.893 19.014 -1.268) 20.264 11.549 ( -5.675 -12.573 -1.451) 13.870 11.549 ( -5.675 12.573 -1.451) 13.870 12.512 ( 11.802 -7.569 0.359) 14.025 12.512 ( 11.802 7.569 0.359) 14.025 13.740 ( 0.054 -2.969 1.739) 3.441 13.740 ( 0.054 2.969 1.739) 3.441 14.225 ( -2.392 -10.179 -6.746) 12.443 14.225 ( -2.392 10.179 -6.746) 12.443 14.497 ( -5.325 -13.891 -2.405) 15.070 14.497 ( -5.325 13.891 -2.405) 15.070 14.838 ( 2.879 -9.676 7.390) 12.511 14.838 ( 2.879 9.676 7.390) 12.511 14.979 ( -1.208 -2.985 5.401) 6.288 14.979 ( -1.208 2.985 5.401) 6.288 15.879 ( -2.626 -7.314 2.731) 8.237 15.879 ( -2.626 7.314 2.731) 8.237 16.219 ( -3.389 -4.977 -1.032) 6.109 16.219 ( -3.389 4.977 -1.032) 6.109 16.394 ( 2.298 -2.621 -0.626) 3.542 16.394 ( 2.298 2.621 -0.626) 3.542 16.624 ( 1.600 -7.258 1.112) 7.515 16.624 ( 1.600 7.258 1.112) 7.515 17.692 ( 0.662 -8.121 -0.015) 8.148 17.692 ( 0.662 8.121 -0.015) 8.148 18.091 ( -8.621 -3.167 -4.619) 10.281 18.091 ( -8.621 3.167 -4.619) 10.281 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 17.640 -10.934 -3.794) 21.097 2.218 ( 17.640 10.934 -3.794) 21.097 2.568 ( 7.036 -12.592 4.175) 15.017 2.568 ( 7.036 12.592 4.175) 15.017 3.176 ( -4.615 -4.593 -7.513) 9.941 3.176 ( -4.615 4.593 -7.513) 9.941 3.415 ( -7.411 -6.606 -0.026) 9.928 3.415 ( -7.411 6.606 -0.026) 9.928 4.010 ( -2.236 -1.684 -1.765) 3.309 4.010 ( -2.236 1.684 -1.765) 3.309 4.114 ( -8.893 -4.830 -0.887) 10.158 4.114 ( -8.893 4.830 -0.887) 10.158 4.901 ( 20.741 -2.204 -11.553) 23.844 4.901 ( 20.741 2.204 -11.553) 23.844 5.495 ( 22.176 -18.229 10.242) 30.479 5.495 ( 22.176 18.229 10.242) 30.479 6.065 ( 1.135 -15.565 3.325) 15.956 6.065 ( 1.135 15.565 3.325) 15.956 6.234 ( -5.762 -22.077 -1.954) 22.900 6.234 ( -5.762 22.077 -1.954) 22.900 6.520 ( -14.699 -6.298 0.647) 16.004 6.520 ( -14.699 6.298 0.647) 16.004 6.975 ( -11.634 -4.878 -5.736) 13.859 6.975 ( -11.634 4.878 -5.736) 13.859 7.216 ( -5.358 -1.621 -1.229) 5.731 7.216 ( -5.358 1.621 -1.229) 5.731 7.381 ( -8.867 -6.132 -0.092) 10.781 7.381 ( -8.867 6.132 -0.092) 10.781 9.025 ( 4.916 -7.173 0.853) 8.738 9.025 ( 4.916 7.173 0.853) 8.738 9.143 ( 1.809 -7.274 4.318) 8.651 9.143 ( 1.809 7.274 4.318) 8.651 10.981 ( 6.955 -19.175 -1.073) 20.426 10.981 ( 6.955 19.175 -1.073) 20.426 11.424 ( -7.390 -14.582 -1.526) 16.418 11.424 ( -7.390 14.582 -1.526) 16.418 12.782 ( 16.226 -10.692 -2.531) 19.596 12.782 ( 16.226 10.692 -2.531) 19.596 13.688 ( -7.030 -3.732 -3.037) 8.519 13.688 ( -7.030 3.732 -3.037) 8.519 14.162 ( -2.759 -4.320 -4.597) 6.885 14.162 ( -2.759 4.320 -4.597) 6.885 14.373 ( -6.663 -6.503 1.725) 9.469 14.373 ( -6.663 6.503 1.725) 9.469 14.894 ( 3.205 -13.104 6.957) 15.178 14.894 ( 3.205 13.104 6.957) 15.178 14.992 ( 1.308 -8.791 7.443) 11.592 14.992 ( 1.308 8.791 7.443) 11.592 15.853 ( 0.326 -5.457 2.773) 6.130 15.853 ( 0.326 5.457 2.773) 6.130 16.129 ( -5.802 -4.852 0.848) 7.611 16.129 ( -5.802 4.852 0.848) 7.611 16.456 ( 4.000 -4.644 -1.197) 6.245 16.456 ( 4.000 4.644 -1.197) 6.245 16.638 ( -0.414 -7.748 0.733) 7.794 16.638 ( -0.414 7.748 0.733) 7.794 17.709 ( 1.269 -7.976 -0.198) 8.079 17.709 ( 1.269 7.976 -0.198) 8.079 17.933 ( -7.526 -5.109 -2.537) 9.444 17.933 ( -7.526 5.109 -2.537) 9.444 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 12.100 -5.644 -3.211) 13.732 2.511 ( 12.100 5.644 -3.211) 13.732 2.642 ( -0.932 -8.717 0.237) 8.770 2.642 ( -0.932 8.717 0.237) 8.770 3.143 ( 2.378 -6.825 -5.472) 9.065 3.143 ( 2.378 6.825 -5.472) 9.065 3.260 ( -8.366 -5.528 -2.397) 10.310 3.260 ( -8.366 5.528 -2.397) 10.310 3.951 ( -1.762 -4.041 -0.563) 4.444 3.951 ( -1.762 4.041 -0.563) 4.444 3.981 ( -4.711 -4.426 0.237) 6.469 3.981 ( -4.711 4.426 0.237) 6.469 5.343 ( 24.412 -1.378 -14.629) 28.492 5.343 ( 24.412 1.378 -14.629) 28.492 5.763 ( -13.780 -6.872 -11.235) 19.061 5.763 ( -13.780 6.872 -11.235) 19.061 6.011 ( 14.821 -20.301 5.379) 25.705 6.011 ( 14.821 20.301 5.379) 25.705 6.279 ( -6.579 -19.919 7.766) 22.368 6.279 ( -6.579 19.919 7.766) 22.368 6.307 ( 5.960 -12.898 5.539) 15.250 6.307 ( 5.960 12.898 5.539) 15.250 6.627 ( -21.339 -3.709 3.855) 22.000 6.627 ( -21.339 3.709 3.855) 22.000 7.201 ( 1.777 -5.026 -3.346) 6.294 7.201 ( 1.777 5.026 -3.346) 6.294 7.259 ( -4.395 -5.731 -2.900) 7.782 7.259 ( -4.395 5.731 -2.900) 7.782 9.108 ( 3.579 -7.139 2.389) 8.336 9.108 ( 3.579 7.139 2.389) 8.336 9.153 ( -0.931 -7.113 3.537) 7.998 9.153 ( -0.931 7.113 3.537) 7.998 11.120 ( 7.752 -18.519 -1.125) 20.107 11.120 ( 7.752 18.519 -1.125) 20.107 11.274 ( -8.154 -16.831 -1.353) 18.751 11.274 ( -8.154 16.831 -1.353) 18.751 13.115 ( 18.249 -11.632 -5.569) 22.346 13.115 ( 18.249 11.632 -5.569) 22.346 13.454 ( -16.375 -10.102 -7.057) 20.494 13.454 ( -16.375 10.102 -7.057) 20.494 14.167 ( 3.125 -1.594 1.462) 3.801 14.167 ( 3.125 1.594 1.462) 3.801 14.256 ( -5.612 -1.661 3.394) 6.765 14.256 ( -5.612 1.661 3.394) 6.765 14.956 ( 2.991 -13.584 6.998) 15.571 14.956 ( 2.991 13.584 6.998) 15.571 14.997 ( -1.061 -12.153 7.366) 14.250 14.997 ( -1.061 12.153 7.366) 14.250 15.900 ( 4.477 -4.694 2.498) 6.951 15.900 ( 4.477 4.694 2.498) 6.951 16.009 ( -6.445 -4.751 1.891) 8.227 16.009 ( -6.445 4.751 1.891) 8.227 16.537 ( 4.191 -6.153 -0.729) 7.480 16.537 ( 4.191 6.153 -0.729) 7.480 16.606 ( -2.825 -7.311 0.024) 7.838 16.606 ( -2.825 7.311 0.024) 7.838 17.745 ( 2.565 -7.539 -0.514) 7.980 17.745 ( 2.565 7.539 -0.514) 7.980 17.814 ( -4.874 -6.633 -1.188) 8.316 17.814 ( -4.874 6.633 -1.188) 8.316 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 0.000 21.980) 21.980 1.477 ( 0.000 0.000 31.796) 31.796 2.258 ( 0.000 0.000 48.545) 48.545 2.742 ( 0.000 0.000 -8.979) 8.979 2.793 ( 0.000 0.000 8.903) 8.903 3.089 ( 0.000 0.000 1.046) 1.046 3.548 ( 0.000 0.000 -19.753) 19.753 3.566 ( 0.000 0.000 4.138) 4.138 3.835 ( 0.000 0.000 -5.900) 5.900 3.994 ( 0.000 0.000 -6.357) 6.357 4.077 ( 0.000 0.000 -12.527) 12.527 4.547 ( 0.000 0.000 12.747) 12.747 4.670 ( 0.000 0.000 -1.334) 1.334 4.923 ( 0.000 0.000 -7.800) 7.800 5.030 ( 0.000 0.000 19.287) 19.287 5.058 ( 0.000 0.000 -5.774) 5.774 5.147 ( 0.000 0.000 6.668) 6.668 5.370 ( 0.000 0.000 14.265) 14.265 6.729 ( 0.000 0.000 -7.071) 7.071 6.919 ( 0.000 0.000 -8.143) 8.143 7.052 ( 0.000 0.000 -13.325) 13.325 7.115 ( 0.000 0.000 -1.428) 1.428 7.160 ( 0.000 0.000 -13.811) 13.811 7.413 ( 0.000 0.000 -5.132) 5.132 7.457 ( 0.000 0.000 -0.786) 0.786 7.575 ( 0.000 0.000 -7.721) 7.721 8.042 ( 0.000 0.000 6.482) 6.482 8.096 ( 0.000 0.000 6.500) 6.500 8.178 ( 0.000 0.000 -4.820) 4.820 8.651 ( 0.000 0.000 12.165) 12.165 8.735 ( 0.000 0.000 -11.314) 11.314 9.139 ( 0.000 0.000 -6.264) 6.264 9.745 ( 0.000 0.000 10.789) 10.789 10.820 ( 0.000 0.000 -6.022) 6.022 11.447 ( 0.000 0.000 6.691) 6.691 12.050 ( 0.000 0.000 -4.027) 4.027 12.297 ( 0.000 0.000 7.792) 7.792 12.326 ( 0.000 0.000 5.684) 5.684 13.526 ( 0.000 0.000 -4.273) 4.273 13.593 ( 0.000 0.000 3.411) 3.411 13.871 ( 0.000 0.000 12.250) 12.250 14.128 ( 0.000 0.000 -12.495) 12.495 14.333 ( 0.000 0.000 -0.170) 0.170 14.386 ( 0.000 0.000 -6.774) 6.774 14.929 ( 0.000 0.000 -0.679) 0.679 15.137 ( 0.000 0.000 -0.712) 0.712 15.597 ( 0.000 0.000 2.166) 2.166 15.628 ( 0.000 0.000 1.892) 1.892 15.821 ( 0.000 0.000 9.585) 9.585 15.885 ( 0.000 0.000 -6.116) 6.116 16.316 ( 0.000 0.000 -1.275) 1.275 16.407 ( 0.000 0.000 1.555) 1.555 16.412 ( 0.000 0.000 -1.077) 1.077 16.423 ( 0.000 0.000 2.685) 2.685 16.831 ( 0.000 0.000 -7.050) 7.050 17.228 ( 0.000 0.000 -7.639) 7.639 17.330 ( 0.000 0.000 -0.023) 0.023 17.365 ( 0.000 0.000 -0.946) 0.946 18.002 ( 0.000 0.000 0.446) 0.446 18.016 ( 0.000 0.000 -0.776) 0.776 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 17.093 0.000 19.230) 25.729 1.216 ( -12.934 0.000 32.785) 35.245 2.681 ( 30.055 0.000 40.499) 50.432 2.745 ( 1.335 0.000 -9.545) 9.638 2.798 ( 0.683 0.000 8.805) 8.831 3.031 ( -2.726 0.000 1.631) 3.177 3.553 ( -2.482 0.000 1.193) 2.754 3.565 ( 1.201 0.000 -19.508) 19.545 3.900 ( 5.537 0.000 -4.562) 7.175 3.965 ( -2.899 0.000 -6.739) 7.336 4.027 ( -5.048 0.000 -12.334) 13.327 4.391 ( -10.182 0.000 12.230) 15.914 4.640 ( -4.210 0.000 -2.049) 4.682 4.743 ( -15.447 0.000 0.216) 15.449 4.877 ( -9.263 0.000 4.207) 10.174 4.918 ( -6.868 0.000 -4.690) 8.317 5.483 ( 24.024 0.000 19.481) 30.930 5.509 ( 6.895 0.000 8.112) 10.646 6.718 ( -2.564 0.000 -10.460) 10.770 6.873 ( -5.601 0.000 -13.305) 14.436 6.968 ( -8.286 0.000 -8.353) 11.766 7.063 ( -7.134 0.000 -9.532) 11.906 7.131 ( -0.288 0.000 -0.812) 0.861 7.349 ( -6.393 0.000 -5.000) 8.116 7.465 ( 0.875 0.000 -1.187) 1.475 7.506 ( -4.486 0.000 -5.798) 7.331 8.061 ( -10.550 0.000 -3.028) 10.976 8.136 ( 7.554 0.000 5.990) 9.641 8.172 ( 7.197 0.000 4.600) 8.541 8.370 ( -17.447 0.000 0.743) 17.463 8.934 ( 11.064 0.000 1.729) 11.198 9.270 ( 10.337 0.000 -5.504) 11.711 9.763 ( 2.154 0.000 9.541) 9.781 10.814 ( -1.341 0.000 -5.123) 5.295 11.484 ( 3.614 0.000 5.138) 6.282 12.015 ( -3.307 0.000 -2.595) 4.203 12.273 ( -1.930 0.000 6.100) 6.398 12.466 ( 13.803 0.000 2.146) 13.968 13.549 ( 2.179 0.000 -5.219) 5.655 13.679 ( 8.447 0.000 5.396) 10.024 13.836 ( -3.019 0.000 11.494) 11.883 13.951 ( -15.026 0.000 -15.122) 21.318 14.375 ( 3.302 0.000 -0.151) 3.305 14.466 ( 5.006 0.000 -3.145) 5.912 14.938 ( 0.718 0.000 -1.046) 1.269 15.103 ( -4.754 0.000 -3.852) 6.118 15.595 ( -1.394 0.000 6.287) 6.440 15.609 ( 1.308 0.000 2.272) 2.621 15.837 ( 1.507 0.000 10.076) 10.188 15.895 ( 0.953 0.000 -5.270) 5.355 16.284 ( -2.384 0.000 -2.352) 3.349 16.380 ( -2.291 0.000 2.276) 3.229 16.427 ( -0.120 0.000 1.859) 1.863 16.455 ( 2.968 0.000 0.451) 3.002 16.688 ( -9.594 0.000 -2.495) 9.914 17.326 ( 5.259 0.000 -11.057) 12.244 17.327 ( -0.247 0.000 -0.069) 0.256 17.369 ( 0.262 0.000 -0.672) 0.721 18.003 ( 0.029 0.000 0.300) 0.301 18.013 ( -0.330 0.000 -0.614) 0.697 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 17.681 0.000 14.828) 23.075 1.487 ( 24.683 0.000 15.357) 29.071 2.691 ( -3.438 0.000 -5.979) 6.896 2.823 ( 1.811 0.000 8.047) 8.249 3.032 ( 5.340 0.000 -0.769) 5.396 3.249 ( 13.335 0.000 17.221) 21.781 3.529 ( 8.550 0.000 8.885) 12.331 3.560 ( -2.056 0.000 -15.484) 15.619 3.868 ( -8.894 0.000 -14.362) 16.893 3.876 ( -7.001 0.000 -7.193) 10.037 4.014 ( 3.405 0.000 0.217) 3.411 4.321 ( 5.165 0.000 3.383) 6.175 4.521 ( -7.828 0.000 -2.753) 8.298 4.523 ( -7.115 0.000 -1.453) 7.262 4.667 ( -12.837 0.000 0.892) 12.868 4.793 ( -5.240 0.000 -2.679) 5.885 5.605 ( 4.814 0.000 8.765) 10.000 5.957 ( 24.306 0.000 19.903) 31.415 6.570 ( -13.600 0.000 -14.292) 19.729 6.612 ( -20.255 0.000 -18.509) 27.438 6.860 ( -2.866 0.000 -4.430) 5.276 6.864 ( -12.497 0.000 -9.814) 15.890 7.183 ( 5.044 0.000 6.864) 8.518 7.190 ( -9.366 0.000 -6.088) 11.171 7.448 ( -2.450 0.000 -2.033) 3.184 7.475 ( -0.553 0.000 -2.786) 2.840 7.839 ( -11.393 0.000 -0.318) 11.397 8.054 ( -15.075 0.000 -1.956) 15.201 8.282 ( 7.441 0.000 4.915) 8.917 8.325 ( 7.834 0.000 3.357) 8.522 9.137 ( 10.151 0.000 4.202) 10.987 9.447 ( 7.344 0.000 1.722) 7.543 9.837 ( 5.836 0.000 5.058) 7.722 10.751 ( -5.429 0.000 -2.519) 5.985 11.578 ( 6.146 0.000 3.341) 6.995 11.947 ( -3.309 0.000 -1.258) 3.540 12.254 ( 0.739 0.000 2.535) 2.641 12.792 ( 18.632 0.000 -4.529) 19.175 13.581 ( 0.085 0.000 -7.908) 7.908 13.615 ( -19.576 0.000 -16.584) 25.656 13.800 ( 0.706 0.000 10.821) 10.844 13.885 ( 12.276 0.000 8.856) 15.137 14.416 ( 0.231 0.000 0.894) 0.924 14.529 ( 1.468 0.000 1.349) 1.994 14.930 ( -6.216 0.000 -3.597) 7.182 14.959 ( -4.626 0.000 -2.217) 5.130 15.625 ( 4.161 0.000 9.753) 10.604 15.646 ( 2.525 0.000 2.649) 3.660 15.872 ( 1.877 0.000 10.779) 10.941 15.918 ( 1.227 0.000 -2.552) 2.832 16.245 ( -1.449 0.000 -0.596) 1.567 16.328 ( -2.969 0.000 2.362) 3.794 16.414 ( -1.249 0.000 1.194) 1.728 16.447 ( -4.864 0.000 2.165) 5.324 16.605 ( 2.189 0.000 -2.435) 3.274 17.323 ( -0.022 0.000 -0.092) 0.094 17.352 ( -2.595 0.000 -10.078) 10.407 17.372 ( 0.018 0.000 -0.132) 0.133 18.001 ( -0.313 0.000 -0.284) 0.422 18.008 ( -0.062 0.000 -0.011) 0.063 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 29.520 0.000 0.745) 29.529 1.979 ( 26.117 0.000 12.371) 28.899 2.644 ( -1.370 0.000 -5.763) 5.924 2.848 ( -0.208 0.000 7.176) 7.179 3.117 ( -0.865 0.000 -7.893) 7.940 3.214 ( -3.796 0.000 -4.898) 6.197 3.514 ( -1.757 0.000 -10.819) 10.961 3.639 ( -7.597 0.000 -4.431) 8.795 3.711 ( -9.309 0.000 -6.104) 11.132 3.874 ( 4.661 0.000 3.624) 5.904 4.092 ( 9.821 0.000 12.245) 15.697 4.357 ( -8.746 0.000 -2.962) 9.234 4.411 ( -12.212 0.000 -0.696) 12.232 4.440 ( -2.679 0.000 -0.110) 2.681 4.580 ( 19.729 0.000 -7.382) 21.065 4.790 ( 7.551 0.000 -5.769) 9.503 5.746 ( 10.719 0.000 9.059) 14.035 6.111 ( -23.834 0.000 -11.008) 26.253 6.205 ( -24.169 0.000 -14.397) 28.132 6.427 ( 16.300 0.000 5.193) 17.107 6.610 ( -14.082 0.000 -5.471) 15.108 6.838 ( 0.570 0.000 -2.411) 2.477 7.024 ( -7.060 0.000 -7.675) 10.428 7.284 ( 4.467 0.000 7.093) 8.383 7.377 ( -5.519 0.000 2.590) 6.097 7.421 ( -4.850 0.000 -4.704) 6.757 7.674 ( -5.203 0.000 1.953) 5.558 7.819 ( -9.147 0.000 -3.771) 9.894 8.409 ( 5.676 0.000 3.853) 6.860 8.449 ( 4.855 0.000 3.180) 5.803 9.316 ( 8.423 0.000 5.897) 10.282 9.536 ( 2.030 0.000 7.957) 8.212 9.987 ( 9.652 0.000 1.464) 9.763 10.609 ( -9.165 0.000 -0.410) 9.174 11.703 ( 6.421 0.000 1.991) 6.722 11.896 ( -2.087 0.000 -0.633) 2.181 12.324 ( 6.940 0.000 -1.607) 7.123 13.124 ( 15.315 0.000 -10.299) 18.456 13.224 ( -20.907 0.000 -14.933) 25.693 13.546 ( -2.956 0.000 -9.933) 10.363 13.876 ( 6.436 0.000 8.631) 10.766 14.120 ( 11.819 0.000 10.756) 15.981 14.363 ( -6.030 0.000 3.263) 6.856 14.524 ( -1.964 0.000 4.742) 5.133 14.770 ( -5.767 0.000 -1.322) 5.917 14.916 ( -3.316 0.000 -0.499) 3.353 15.706 ( 3.776 0.000 3.464) 5.124 15.724 ( 5.619 0.000 9.543) 11.074 15.898 ( 0.682 0.000 10.800) 10.822 15.926 ( -0.809 0.000 1.676) 1.862 16.233 ( 0.001 0.000 3.364) 3.364 16.282 ( -1.405 0.000 1.286) 1.905 16.345 ( -4.818 0.000 1.735) 5.121 16.380 ( -2.304 0.000 0.663) 2.397 16.700 ( 7.001 0.000 -3.023) 7.625 17.244 ( -8.137 0.000 -7.294) 10.928 17.327 ( 0.438 0.000 -0.030) 0.439 17.368 ( -0.464 0.000 0.281) 0.542 17.996 ( -0.111 0.000 -0.283) 0.304 18.007 ( -0.130 0.000 -0.029) 0.133 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 23.899 0.000 -1.947) 23.978 2.447 ( 21.799 0.000 9.698) 23.858 2.588 ( -7.643 0.000 -3.013) 8.215 2.761 ( -10.252 0.000 7.562) 12.739 3.030 ( -1.478 0.000 -13.763) 13.843 3.124 ( -8.380 0.000 -16.342) 18.365 3.506 ( 0.839 0.000 -7.653) 7.698 3.561 ( -5.550 0.000 -5.881) 8.086 3.619 ( 6.346 0.000 1.175) 6.454 3.784 ( -8.960 0.000 1.487) 9.083 4.218 ( -3.994 0.000 -2.313) 4.616 4.237 ( -5.488 0.000 -2.867) 6.192 4.282 ( 6.910 0.000 9.874) 12.051 4.381 ( -3.993 0.000 5.616) 6.891 5.038 ( 27.174 0.000 -13.455) 30.323 5.132 ( 26.202 0.000 -9.110) 27.740 5.583 ( -29.129 0.000 -15.645) 33.064 5.681 ( -29.479 0.000 -11.974) 31.818 6.009 ( 15.902 0.000 5.850) 16.944 6.322 ( -16.172 0.000 0.576) 16.182 6.683 ( 8.862 0.000 -4.175) 9.796 6.811 ( -5.175 0.000 -5.758) 7.742 7.028 ( 8.856 0.000 4.216) 9.808 7.229 ( -9.976 0.000 6.671) 12.001 7.325 ( 0.198 0.000 2.873) 2.880 7.341 ( -2.464 0.000 -2.778) 3.713 7.641 ( 1.352 0.000 0.176) 1.364 7.698 ( -4.274 0.000 -1.844) 4.655 8.490 ( 2.639 0.000 3.333) 4.252 8.506 ( 1.077 0.000 3.165) 3.343 9.453 ( 5.799 0.000 7.541) 9.513 9.532 ( -2.350 0.000 8.817) 9.125 10.192 ( 11.481 0.000 1.019) 11.526 10.412 ( -11.283 0.000 0.721) 11.306 11.805 ( 4.038 0.000 0.947) 4.148 11.860 ( -2.030 0.000 0.103) 2.033 12.523 ( 13.815 0.000 -6.232) 15.155 12.839 ( -18.921 0.000 -11.012) 21.892 13.356 ( 8.998 0.000 -13.739) 16.423 13.479 ( -4.443 0.000 -13.321) 14.042 14.023 ( 8.768 0.000 7.900) 11.802 14.203 ( -9.721 0.000 6.202) 11.531 14.320 ( 8.893 0.000 10.067) 13.433 14.455 ( -5.309 0.000 7.668) 9.327 14.744 ( 2.520 0.000 1.078) 2.740 14.828 ( -5.329 0.000 0.798) 5.388 15.789 ( 4.804 0.000 4.566) 6.628 15.824 ( 4.570 0.000 8.950) 10.049 15.878 ( -4.058 0.000 4.598) 6.132 15.888 ( -1.951 0.000 9.793) 9.985 16.241 ( 0.930 0.000 5.047) 5.132 16.274 ( -2.668 0.000 3.306) 4.249 16.285 ( 1.612 0.000 0.218) 1.626 16.330 ( -2.746 0.000 0.279) 2.760 16.863 ( 9.871 0.000 -3.954) 10.633 17.062 ( -10.479 0.000 -5.164) 11.682 17.339 ( 0.793 0.000 0.152) 0.808 17.355 ( -0.808 0.000 0.340) 0.877 17.997 ( 0.235 0.000 -0.206) 0.312 18.003 ( -0.306 0.000 -0.142) 0.337 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 0.000 30.186 14.929) 33.676 1.634 ( 0.000 13.648 28.404) 31.513 2.388 ( 0.000 14.020 41.159) 43.482 2.547 ( 0.000 -10.626 3.447) 11.171 2.993 ( 0.000 11.191 0.054) 11.191 3.026 ( 0.000 -5.680 4.002) 6.948 3.497 ( 0.000 -4.709 1.003) 4.814 3.622 ( 0.000 5.328 -17.533) 18.325 3.881 ( 0.000 4.478 -6.507) 7.899 3.900 ( 0.000 -10.260 -8.026) 13.026 4.021 ( 0.000 -2.924 -6.548) 7.171 4.541 ( 0.000 -2.898 8.359) 8.847 4.814 ( 0.000 -3.711 -11.058) 11.664 4.897 ( 0.000 -3.635 -0.042) 3.635 4.958 ( 0.000 9.450 5.835) 11.106 5.094 ( 0.000 3.595 16.835) 17.215 5.252 ( 0.000 8.886 5.506) 10.453 5.403 ( 0.000 6.289 10.846) 12.538 6.654 ( 0.000 -7.424 -1.894) 7.662 6.913 ( 0.000 -0.509 -9.701) 9.714 7.015 ( 0.000 -4.919 -12.298) 13.245 7.039 ( 0.000 -6.083 -4.459) 7.543 7.052 ( 0.000 -4.764 -10.762) 11.769 7.359 ( 0.000 -6.963 -2.032) 7.253 7.479 ( 0.000 0.882 -7.124) 7.178 7.540 ( 0.000 -2.729 -7.824) 8.287 7.942 ( 0.000 -4.182 -2.670) 4.962 8.067 ( 0.000 -2.418 4.857) 5.425 8.407 ( 0.000 14.060 0.766) 14.081 8.704 ( 0.000 4.927 11.902) 12.882 8.767 ( 0.000 2.384 -9.988) 10.268 9.170 ( 0.000 2.023 -3.912) 4.404 9.901 ( 0.000 13.661 8.079) 15.871 10.863 ( 0.000 3.040 -7.108) 7.730 11.431 ( 0.000 -0.779 6.727) 6.772 11.980 ( 0.000 -5.792 -3.151) 6.594 12.314 ( 0.000 1.456 7.766) 7.901 12.353 ( 0.000 2.117 6.165) 6.518 13.583 ( 0.000 5.300 -3.673) 6.449 13.632 ( 0.000 3.152 3.840) 4.968 13.924 ( 0.000 5.686 9.367) 10.958 14.155 ( 0.000 1.857 -11.388) 11.538 14.199 ( 0.000 -7.000 -3.287) 7.734 14.529 ( 0.000 7.857 -3.352) 8.542 14.912 ( 0.000 -1.623 -0.899) 1.855 15.085 ( 0.000 -3.976 0.711) 4.039 15.536 ( 0.000 -8.246 2.205) 8.536 15.557 ( 0.000 -6.625 3.672) 7.575 15.761 ( 0.000 -2.163 7.485) 7.791 15.918 ( 0.000 2.731 -6.281) 6.849 16.299 ( 0.000 -1.543 -1.333) 2.039 16.373 ( 0.000 -2.446 0.245) 2.458 16.407 ( 0.000 0.026 1.542) 1.542 16.457 ( 0.000 1.918 1.288) 2.311 16.780 ( 0.000 -4.274 -5.574) 7.024 16.819 ( 0.000 -18.701 4.170) 19.160 17.379 ( 0.000 4.428 -0.005) 4.428 17.758 ( 0.000 16.710 -13.852) 21.705 17.963 ( 0.000 -3.607 0.384) 3.628 18.045 ( 0.000 2.274 -2.326) 3.253 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -11.235 12.207 29.074) 33.475 1.516 ( 8.016 30.091 13.080) 33.776 2.555 ( 1.066 -11.021 2.010) 11.254 2.790 ( 30.059 10.262 34.819) 47.130 2.931 ( -5.364 2.330 2.527) 6.370 3.031 ( 1.394 3.552 1.387) 4.060 3.493 ( -1.206 -4.163 -0.560) 4.371 3.638 ( 0.662 4.671 -17.148) 17.785 3.844 ( -5.128 -10.189 -8.158) 14.023 3.919 ( 3.209 2.858 -5.747) 7.175 3.986 ( -2.944 -2.370 -6.249) 7.303 4.456 ( -6.385 2.661 9.103) 11.433 4.629 ( -12.864 -7.363 -2.987) 15.120 4.796 ( -7.862 -0.653 -5.915) 9.860 4.861 ( -7.366 10.987 2.041) 13.384 5.159 ( -1.765 18.572 2.164) 18.781 5.450 ( 17.777 -2.649 17.111) 24.816 5.503 ( 9.888 2.076 12.434) 16.022 6.655 ( -1.071 -6.248 -5.220) 8.212 6.850 ( -6.607 -1.797 -13.620) 15.244 6.924 ( -9.194 -4.450 -10.797) 14.863 6.988 ( -5.236 -4.037 -7.307) 9.854 7.044 ( -0.253 -6.839 -1.505) 7.007 7.350 ( -0.376 -6.398 -3.283) 7.201 7.412 ( -6.803 1.239 -5.768) 9.004 7.505 ( -2.467 -1.624 -5.665) 6.388 7.880 ( -6.524 -8.004 -2.101) 10.537 8.080 ( -2.008 -5.623 1.919) 6.272 8.411 ( 1.210 14.261 3.030) 14.629 8.516 ( -6.751 11.143 1.789) 13.151 8.958 ( 10.477 1.677 2.026) 10.802 9.273 ( 8.486 -0.191 -2.946) 8.985 9.924 ( 2.557 14.114 6.941) 15.935 10.872 ( 0.103 4.581 -6.530) 7.978 11.450 ( 2.093 -2.498 5.588) 6.469 11.948 ( -3.051 -5.599 -2.521) 6.857 12.299 ( -1.000 2.218 6.252) 6.708 12.475 ( 12.106 0.616 3.340) 12.573 13.600 ( 1.976 4.366 -3.920) 6.191 13.707 ( 6.578 2.644 5.048) 8.703 13.891 ( -2.673 5.197 8.962) 10.699 13.967 ( -13.580 1.466 -14.805) 20.143 14.300 ( 5.233 -3.872 -1.018) 6.588 14.565 ( 2.468 6.184 -1.757) 6.886 14.916 ( 0.396 -2.017 -0.952) 2.265 15.062 ( -3.581 -3.038 -2.346) 5.249 15.501 ( -1.536 -7.992 5.923) 10.066 15.578 ( 2.109 -6.362 4.051) 7.831 15.771 ( 0.804 -2.353 7.809) 8.195 15.932 ( 1.348 2.928 -4.938) 5.897 16.263 ( -2.831 -2.019 -1.761) 3.897 16.374 ( -1.552 -0.845 1.933) 2.619 16.413 ( 1.077 -0.844 1.005) 1.697 16.473 ( 1.147 1.345 1.040) 2.051 16.605 ( -8.212 -6.939 0.091) 10.752 16.981 ( 7.376 -14.078 -2.106) 16.032 17.379 ( 0.068 4.484 0.011) 4.485 17.719 ( -3.816 14.516 -11.461) 18.885 17.964 ( 0.120 -3.584 0.311) 3.600 18.040 ( -0.624 2.112 -2.405) 3.261 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 13.866 9.793 14.272) 22.178 1.771 ( 16.672 20.603 11.458) 28.874 2.586 ( 2.383 -8.839 -1.883) 9.346 2.846 ( -2.885 1.455 4.017) 5.155 3.081 ( 4.324 3.458 -0.351) 5.548 3.253 ( 8.932 -0.394 12.331) 15.231 3.465 ( -0.878 -4.900 3.191) 5.913 3.621 ( -0.067 2.742 -10.337) 10.695 3.762 ( -0.286 -2.512 -6.360) 6.844 3.915 ( -4.588 0.702 -8.341) 9.545 3.986 ( 2.791 -0.762 -2.478) 3.810 4.398 ( 2.050 4.667 4.000) 6.479 4.419 ( -8.954 -5.888 -3.831) 11.380 4.668 ( -4.298 3.702 -5.505) 7.904 4.707 ( -7.609 8.823 0.626) 11.668 5.064 ( -6.549 23.273 -0.034) 24.177 5.621 ( 7.155 2.922 10.929) 13.386 5.903 ( 23.629 -4.896 19.395) 30.959 6.514 ( -16.252 -3.673 -13.610) 21.514 6.625 ( -15.944 -0.171 -16.534) 22.970 6.766 ( -6.659 -5.784 -7.170) 11.367 6.858 ( -6.256 -2.394 -5.808) 8.866 7.086 ( 4.557 -8.006 5.900) 10.939 7.239 ( -9.406 2.925 -6.669) 11.896 7.365 ( 0.310 -5.877 -2.050) 6.232 7.449 ( -4.066 -2.715 -3.023) 5.749 7.706 ( -10.500 -9.951 -0.619) 14.480 7.931 ( -11.575 -7.929 -1.406) 14.100 8.464 ( 4.591 12.900 4.108) 14.296 8.522 ( 4.466 14.198 2.206) 15.046 9.150 ( 9.605 0.669 4.252) 10.525 9.424 ( 6.522 -2.320 2.429) 7.336 10.003 ( 5.720 14.525 3.724) 16.049 10.837 ( -4.197 7.504 -4.062) 9.509 11.516 ( 4.722 -5.576 3.560) 8.128 11.882 ( -3.472 -5.566 -1.955) 6.845 12.301 ( 1.867 3.904 2.968) 5.247 12.767 ( 17.006 -2.400 -2.462) 17.350 13.629 ( -6.221 3.942 -10.669) 12.964 13.661 ( -11.095 3.558 -12.188) 16.862 13.791 ( 1.491 0.976 8.402) 8.589 13.937 ( 7.927 4.148 7.153) 11.455 14.373 ( 2.083 -2.470 1.468) 3.549 14.590 ( -0.147 3.818 1.252) 4.020 14.894 ( -5.670 -2.907 -2.444) 6.825 14.958 ( -3.434 0.133 -1.322) 3.682 15.526 ( 3.830 -7.924 8.636) 12.330 15.639 ( 4.151 -4.950 5.354) 8.390 15.784 ( 0.568 -3.569 8.011) 8.789 15.962 ( 1.404 3.242 -1.411) 3.804 16.210 ( -2.475 -3.245 0.397) 4.100 16.331 ( -2.554 -0.006 1.865) 3.162 16.419 ( -2.344 -0.637 2.157) 3.249 16.428 ( -3.278 -0.777 0.276) 3.380 16.566 ( 3.196 -2.633 -1.269) 4.331 17.072 ( 2.124 -12.851 -2.912) 13.346 17.382 ( 0.260 4.636 0.001) 4.643 17.626 ( -5.550 11.220 -7.212) 14.446 17.967 ( 0.133 -3.492 0.110) 3.496 18.020 ( -1.332 1.039 -1.835) 2.494 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 27.341 4.494 1.205) 27.734 2.111 ( 18.032 9.533 9.493) 22.498 2.656 ( 4.856 -0.365 -6.035) 7.755 2.813 ( -1.298 -2.102 4.439) 5.080 3.150 ( -1.442 2.970 -4.724) 5.763 3.210 ( -4.865 -1.047 -5.735) 7.593 3.353 ( -6.286 -13.932 -3.110) 15.598 3.569 ( -5.269 -2.881 -6.517) 8.861 3.774 ( -7.471 3.712 -8.102) 11.629 3.876 ( -0.736 0.324 1.341) 1.563 4.061 ( 5.362 -0.023 6.262) 8.244 4.237 ( -9.296 -5.656 -1.885) 11.044 4.539 ( 6.872 7.834 -6.036) 12.043 4.665 ( 9.341 10.973 -3.356) 14.796 4.714 ( 9.379 8.123 -1.528) 12.501 4.955 ( -2.804 21.538 -0.823) 21.735 5.791 ( 11.199 4.748 9.681) 15.546 6.081 ( -25.750 -2.348 -14.600) 29.694 6.206 ( -14.007 -0.390 -5.364) 15.004 6.391 ( 10.836 -3.165 2.793) 11.629 6.589 ( -11.424 -1.373 -5.356) 12.692 6.813 ( 0.506 -2.560 -2.587) 3.674 7.071 ( -7.515 3.539 -7.038) 10.887 7.182 ( 4.281 -8.956 6.480) 11.854 7.331 ( -5.379 -3.846 1.728) 6.835 7.342 ( -5.903 -5.679 -3.995) 9.114 7.547 ( -4.690 -11.197 1.520) 12.234 7.717 ( -9.709 -8.023 -2.892) 12.923 8.561 ( 4.943 11.998 3.563) 13.456 8.609 ( 3.844 12.772 2.690) 13.606 9.318 ( 7.927 -0.278 5.747) 9.795 9.510 ( 2.367 -2.720 6.980) 7.857 10.140 ( 8.558 13.618 1.284) 16.135 10.713 ( -8.500 9.322 -1.730) 12.734 11.618 ( 5.563 -7.694 1.714) 9.648 11.824 ( -2.611 -6.240 -1.635) 6.959 12.390 ( 7.725 5.545 -0.981) 9.560 13.073 ( 13.284 -4.062 -8.225) 16.143 13.287 ( -17.922 4.632 -13.396) 22.850 13.610 ( -3.790 5.159 -11.720) 13.354 13.861 ( 5.745 -0.287 7.924) 9.791 14.087 ( 5.462 -2.158 8.539) 10.364 14.381 ( -0.478 1.402 4.515) 4.752 14.560 ( -2.858 1.685 3.512) 4.831 14.769 ( -4.075 0.684 0.675) 4.187 14.919 ( -2.687 0.785 0.577) 2.858 15.618 ( 5.279 -7.894 8.001) 12.418 15.727 ( 4.708 -3.733 7.122) 9.318 15.793 ( 0.415 -4.815 8.015) 9.360 15.965 ( -1.535 2.976 2.382) 4.109 16.175 ( -1.038 -4.633 3.678) 6.006 16.286 ( -2.379 -0.661 0.952) 2.646 16.340 ( -2.611 0.326 1.778) 3.176 16.409 ( -1.291 2.367 0.391) 2.725 16.657 ( 6.171 -3.538 -2.326) 7.484 17.061 ( -3.216 -10.806 -3.338) 11.758 17.390 ( 0.629 4.985 -0.087) 5.026 17.523 ( -4.927 9.023 -3.375) 10.820 17.969 ( 0.080 -3.257 -0.142) 3.261 17.995 ( -1.173 -0.624 -1.013) 1.671 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 21.479 1.065 -1.682) 21.571 2.410 ( 10.746 -0.977 4.760) 11.794 2.694 ( -1.664 5.842 -0.185) 6.077 2.800 ( -3.543 2.851 2.739) 5.308 3.004 ( -4.293 -4.066 -12.550) 13.873 3.094 ( -6.986 -1.964 -12.723) 14.647 3.370 ( 3.902 -9.869 -1.897) 10.781 3.457 ( -5.915 -7.687 -4.204) 10.571 3.692 ( 0.775 5.207 -1.640) 5.514 3.780 ( -6.599 1.260 0.929) 6.782 4.075 ( -1.507 -2.944 0.066) 3.308 4.096 ( -4.474 -4.448 0.146) 6.310 4.656 ( 5.759 20.566 -0.778) 21.371 4.758 ( -4.307 23.655 -0.022) 24.044 5.021 ( 24.461 -0.540 -14.213) 28.295 5.206 ( 25.347 7.296 -4.945) 26.836 5.551 ( -27.922 -1.642 -16.106) 32.276 5.745 ( -27.630 4.824 -9.489) 29.610 6.049 ( 15.026 4.122 6.713) 16.965 6.338 ( -14.507 1.920 0.719) 14.651 6.668 ( 11.148 -2.018 -0.266) 11.333 6.811 ( -3.680 -0.756 -3.206) 4.939 7.016 ( 4.474 -0.437 0.910) 4.586 7.168 ( -7.767 -5.697 4.085) 10.463 7.243 ( -0.945 -7.154 2.273) 7.565 7.252 ( -2.658 -7.211 -0.019) 7.686 7.520 ( 1.185 -10.173 0.064) 10.242 7.579 ( -4.916 -9.977 -1.948) 11.291 8.636 ( 2.594 11.802 3.165) 12.492 8.654 ( 0.744 12.083 2.900) 12.449 9.446 ( 5.288 -1.181 7.135) 8.960 9.514 ( -1.790 -2.060 8.023) 8.475 10.323 ( 10.469 11.948 0.414) 15.891 10.527 ( -10.608 10.519 -0.336) 14.943 11.713 ( 4.135 -8.290 0.229) 9.267 11.776 ( -2.677 -7.431 -0.897) 7.949 12.596 ( 13.695 6.266 -5.455) 16.018 12.901 ( -17.819 5.485 -10.116) 21.212 13.343 ( 10.717 -2.025 -12.077) 16.273 13.511 ( -6.829 1.872 -13.875) 15.577 13.982 ( 6.493 -1.866 7.662) 10.215 14.092 ( -4.253 -4.990 7.973) 10.322 14.409 ( 3.697 3.614 7.088) 8.773 14.490 ( -4.237 1.338 5.788) 7.297 14.764 ( 2.918 2.706 2.968) 4.964 14.845 ( -4.695 2.124 2.270) 5.630 15.716 ( 4.657 -8.623 8.458) 12.946 15.775 ( -1.046 -9.913 9.799) 13.978 15.824 ( 3.761 1.795 5.182) 6.650 15.905 ( -4.269 2.423 4.454) 6.628 16.178 ( 1.498 -4.302 4.278) 6.249 16.227 ( -3.327 -2.827 2.768) 5.169 16.337 ( 1.583 3.067 1.069) 3.613 16.376 ( -2.075 3.314 0.662) 3.966 16.798 ( 8.314 -5.357 -3.176) 10.388 16.955 ( -7.513 -7.963 -3.514) 11.498 17.409 ( 1.415 5.677 -0.275) 5.857 17.448 ( -2.865 7.048 -1.026) 7.677 17.971 ( 0.199 -2.816 -0.336) 2.843 17.978 ( -0.606 -2.036 -0.529) 2.190 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 12.924 21.974) 25.493 2.009 ( 0.000 19.650 22.079) 29.557 2.310 ( 0.000 -10.822 12.331) 16.406 2.768 ( 0.000 -2.452 11.024) 11.293 2.947 ( 0.000 17.047 13.893) 21.991 3.243 ( 0.000 10.661 -2.190) 10.884 3.415 ( 0.000 -1.386 -1.565) 2.091 3.630 ( 0.000 -12.130 -6.261) 13.650 3.724 ( 0.000 2.882 -14.195) 14.485 3.923 ( 0.000 -6.564 -0.718) 6.603 4.038 ( 0.000 9.222 -7.846) 12.108 4.406 ( 0.000 -8.289 1.935) 8.512 4.589 ( 0.000 -8.648 -3.267) 9.245 4.748 ( 0.000 -9.563 5.263) 10.915 5.177 ( 0.000 4.360 16.619) 17.182 5.307 ( 0.000 -1.078 14.213) 14.254 5.387 ( 0.000 22.114 2.326) 22.236 5.829 ( 0.000 26.052 0.215) 26.053 6.399 ( 0.000 -14.379 5.881) 15.535 6.889 ( 0.000 -4.769 -7.267) 8.692 6.900 ( 0.000 -1.759 -6.250) 6.492 6.919 ( 0.000 -2.647 -14.818) 15.052 6.985 ( 0.000 -2.874 -14.251) 14.538 7.106 ( 0.000 -18.055 -1.880) 18.153 7.445 ( 0.000 -1.771 -7.217) 7.431 7.480 ( 0.000 -2.498 -8.002) 8.383 7.907 ( 0.000 0.582 -5.827) 5.856 8.005 ( 0.000 -3.068 1.302) 3.332 8.664 ( 0.000 8.596 4.087) 9.518 8.807 ( 0.000 0.751 -5.516) 5.567 8.865 ( 0.000 9.746 6.082) 11.488 9.180 ( 0.000 -1.982 -0.143) 1.987 10.269 ( 0.000 18.710 3.405) 19.017 10.866 ( 0.000 -4.848 -5.509) 7.338 11.471 ( 0.000 5.524 3.337) 6.454 11.828 ( 0.000 -7.944 -2.726) 8.399 12.353 ( 0.000 1.993 7.727) 7.980 12.393 ( 0.000 1.058 7.124) 7.203 13.715 ( 0.000 4.468 4.156) 6.102 13.741 ( 0.000 8.158 -0.961) 8.214 14.062 ( 0.000 -4.863 -5.357) 7.235 14.140 ( 0.000 11.071 7.531) 13.389 14.176 ( 0.000 2.460 -13.624) 13.845 14.690 ( 0.000 5.256 -3.225) 6.166 14.858 ( 0.000 -2.803 0.442) 2.838 15.001 ( 0.000 -3.353 3.900) 5.143 15.281 ( 0.000 -15.137 7.041) 16.694 15.302 ( 0.000 -12.233 1.909) 12.381 15.812 ( 0.000 5.596 2.186) 6.008 15.983 ( 0.000 2.483 -7.043) 7.468 16.252 ( 0.000 -2.716 -1.231) 2.982 16.286 ( 0.000 -6.142 2.056) 6.477 16.411 ( 0.000 0.349 1.615) 1.652 16.500 ( 0.000 0.264 0.898) 0.935 16.522 ( 0.000 -5.919 4.576) 7.482 16.673 ( 0.000 -5.138 -2.640) 5.776 17.510 ( 0.000 7.420 0.063) 7.420 17.848 ( 0.000 -6.682 0.196) 6.685 18.014 ( 0.000 7.189 -14.134) 15.857 18.093 ( 0.000 1.681 -5.904) 6.139 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -9.780 15.652 23.768) 30.093 2.088 ( 4.598 21.452 12.198) 25.102 2.293 ( 0.266 -12.784 10.263) 16.396 2.804 ( 1.071 -10.328 8.737) 13.570 3.109 ( 12.472 13.577 12.246) 22.132 3.199 ( -4.088 7.563 -2.374) 8.919 3.436 ( 1.827 1.246 -1.020) 2.435 3.590 ( -1.412 -6.436 -6.918) 9.554 3.767 ( 2.379 2.386 -11.201) 11.697 3.895 ( -1.602 -6.035 -2.036) 6.567 4.045 ( 0.343 8.225 -7.349) 11.035 4.388 ( -2.724 -7.543 -1.685) 8.195 4.531 ( -4.257 -1.619 2.884) 5.391 4.674 ( -5.068 -6.705 0.950) 8.458 5.145 ( -8.642 9.128 4.423) 13.326 5.351 ( 15.324 -3.066 18.423) 24.158 5.565 ( 10.391 14.635 9.145) 20.145 5.815 ( -1.631 26.903 1.308) 26.984 6.418 ( 1.748 -15.095 4.412) 15.823 6.807 ( -10.387 -3.451 -15.034) 18.597 6.827 ( -6.284 -2.713 -9.177) 11.448 6.899 ( -0.521 -4.872 -3.151) 5.825 6.917 ( -6.461 -3.087 -11.666) 13.688 7.122 ( 1.715 -15.602 -3.653) 16.116 7.404 ( -4.677 -1.085 -6.554) 8.124 7.449 ( -3.050 -2.651 -6.592) 7.732 7.789 ( -10.232 -0.060 -3.516) 10.820 7.951 ( -7.007 -5.836 -0.403) 9.128 8.674 ( 1.822 9.876 3.605) 10.670 8.777 ( 0.846 10.476 -0.751) 10.537 8.989 ( 8.235 1.725 3.660) 9.175 9.237 ( 5.150 -3.647 0.763) 6.357 10.306 ( 3.728 19.532 2.694) 20.066 10.917 ( 4.603 -3.443 -6.069) 8.360 11.443 ( -2.723 3.824 3.344) 5.764 11.797 ( -3.082 -8.159 -2.826) 9.168 12.360 ( 1.043 3.224 6.596) 7.415 12.475 ( 8.208 -0.988 5.443) 9.898 13.702 ( 0.160 4.528 1.185) 4.683 13.808 ( 4.640 5.173 2.454) 7.369 13.945 ( -8.644 1.222 -7.019) 11.202 14.121 ( -4.159 10.436 -8.043) 13.816 14.241 ( 5.952 0.047 1.905) 6.250 14.679 ( -1.644 1.899 -3.184) 4.056 14.864 ( 0.695 -1.200 1.824) 2.291 15.006 ( -0.431 -1.530 1.373) 2.100 15.274 ( -1.286 -12.174 5.580) 13.453 15.306 ( 2.577 -15.213 7.524) 17.167 15.818 ( 0.340 5.273 3.075) 6.114 16.001 ( 1.774 2.550 -5.741) 6.528 16.199 ( -3.926 -3.504 0.680) 5.306 16.312 ( 0.821 -5.434 0.181) 5.499 16.403 ( -0.281 -0.016 1.282) 1.312 16.453 ( -4.159 -3.790 2.359) 6.101 16.524 ( 1.323 2.319 1.262) 2.953 16.743 ( 5.032 -8.391 -1.251) 9.864 17.512 ( 0.182 7.460 0.055) 7.462 17.849 ( 0.066 -6.516 0.012) 6.517 17.957 ( -5.166 7.352 -11.361) 14.484 18.078 ( -1.805 0.875 -5.958) 6.286 ======================= Grid point 146 (53/100) ======================= q-point: ( 0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 8.166 15.217 11.936) 20.993 2.166 ( 4.257 9.731 6.842) 12.634 2.374 ( 8.286 -5.356 5.916) 11.504 2.822 ( 0.845 -5.850 5.816) 8.292 3.116 ( -3.732 -0.600 -3.236) 4.976 3.204 ( -1.841 -3.603 -1.246) 4.234 3.390 ( -6.389 1.228 -3.333) 7.310 3.622 ( -3.844 -3.073 -6.179) 7.899 3.820 ( 8.252 5.669 -0.116) 10.012 3.932 ( 3.786 0.118 -6.614) 7.622 4.032 ( -1.494 5.676 -4.848) 7.613 4.293 ( -7.068 -5.483 -5.974) 10.757 4.488 ( 1.492 3.360 3.990) 5.425 4.624 ( 0.316 -3.368 -1.816) 3.840 5.038 ( -0.575 17.211 4.096) 17.701 5.645 ( 3.660 17.174 5.933) 18.535 5.737 ( 13.545 5.878 12.645) 19.440 5.823 ( 7.494 9.982 10.092) 16.052 6.400 ( -9.529 -8.590 -5.604) 14.000 6.580 ( -8.260 -7.198 -11.834) 16.127 6.643 ( -12.382 -1.531 -9.192) 15.497 6.786 ( -6.064 -3.329 -5.205) 8.657 6.913 ( 1.962 -6.256 -0.190) 6.559 7.165 ( 2.470 -15.141 -3.840) 15.814 7.273 ( -8.172 0.435 -5.987) 10.140 7.365 ( -5.930 -4.106 -3.778) 8.142 7.553 ( -14.088 -1.086 -1.435) 14.202 7.759 ( -11.936 -7.608 -1.175) 14.203 8.743 ( 4.995 11.943 3.280) 13.354 8.833 ( 4.220 12.873 1.539) 13.634 9.143 ( 7.771 -1.281 4.599) 9.120 9.340 ( 4.954 -5.628 3.440) 8.250 10.400 ( 5.829 20.568 1.215) 21.412 10.998 ( 2.550 3.042 -6.317) 7.461 11.387 ( -2.187 -2.832 3.227) 4.818 11.723 ( -4.297 -8.949 -3.070) 10.391 12.409 ( 4.517 5.910 3.685) 8.301 12.683 ( 12.926 -5.309 1.440) 14.048 13.707 ( -13.071 1.898 -8.702) 15.818 13.718 ( -0.273 2.182 -3.911) 4.487 13.908 ( 2.240 8.868 -0.291) 9.151 14.061 ( -0.592 6.737 -1.106) 6.853 14.339 ( 3.998 0.034 2.663) 4.803 14.619 ( -4.466 -3.189 -2.386) 5.984 14.862 ( -1.352 2.129 3.485) 4.302 14.984 ( -0.619 2.913 1.860) 3.511 15.299 ( 3.509 -12.727 8.839) 15.887 15.378 ( 4.742 -15.136 8.906) 18.191 15.820 ( -0.070 4.566 4.251) 6.239 16.038 ( 1.526 1.635 -1.726) 2.825 16.121 ( -3.827 -2.723 2.088) 5.140 16.298 ( -2.115 -3.773 -0.261) 4.333 16.387 ( -2.297 -0.413 1.464) 2.755 16.421 ( 1.983 -0.949 0.073) 2.200 16.551 ( 1.348 1.916 0.848) 2.491 16.820 ( 2.553 -10.156 -1.105) 10.530 17.518 ( 0.462 7.550 -0.020) 7.564 17.827 ( -5.209 4.495 -5.908) 9.069 17.864 ( -1.300 -3.149 -1.644) 3.782 18.026 ( -3.415 -0.966 -4.371) 5.630 ======================= Grid point 147 (54/100) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 20.772 9.292 0.790) 22.770 2.278 ( 7.519 2.975 2.573) 8.485 2.578 ( 11.902 -3.232 2.593) 12.603 2.819 ( -1.303 -0.124 0.491) 1.398 3.040 ( -6.592 -10.291 -3.960) 12.847 3.145 ( -1.347 -4.853 -4.822) 6.973 3.248 ( -7.781 4.492 -4.002) 9.835 3.472 ( -9.488 -5.384 -6.205) 12.550 3.877 ( -2.878 4.548 -4.796) 7.209 3.935 ( -3.553 5.318 -2.286) 6.792 4.051 ( 1.178 -1.964 0.675) 2.387 4.147 ( -7.406 -3.088 -3.335) 8.689 4.626 ( 13.220 2.822 -7.578) 15.497 4.720 ( 10.704 -0.866 -8.791) 13.879 5.167 ( 12.701 26.470 8.227) 30.490 5.543 ( -8.236 27.310 -3.176) 28.701 5.963 ( 9.922 10.395 9.508) 17.231 6.019 ( -22.092 -3.201 -15.654) 27.265 6.151 ( 14.455 -6.374 13.959) 21.082 6.342 ( -12.979 2.003 -6.814) 14.796 6.544 ( -3.565 -4.908 -5.176) 7.974 6.718 ( -0.213 -5.726 0.442) 5.747 6.952 ( 1.027 -9.809 2.591) 10.198 7.123 ( -6.292 -2.403 -5.141) 8.473 7.210 ( 0.330 -15.407 -2.652) 15.637 7.229 ( -8.109 -4.505 -2.295) 9.556 7.280 ( -12.007 0.019 0.763) 12.031 7.531 ( -11.406 -8.433 -1.812) 14.300 8.844 ( 5.123 12.931 3.499) 14.342 8.912 ( 3.502 13.740 2.718) 14.437 9.278 ( 6.230 -3.730 5.404) 9.051 9.411 ( 2.344 -6.452 5.638) 8.883 10.523 ( 7.109 20.409 0.076) 21.612 10.974 ( -5.027 12.961 -4.446) 14.596 11.391 ( 2.586 -12.245 1.282) 12.580 11.640 ( -4.453 -10.719 -3.044) 12.000 12.543 ( 9.687 8.440 -0.151) 12.849 12.944 ( 13.887 -8.024 -3.226) 16.360 13.407 ( -16.809 6.437 -10.992) 21.090 13.668 ( -6.826 -2.157 -10.910) 13.049 13.943 ( 3.401 8.807 3.004) 9.907 14.091 ( 1.808 3.329 5.235) 6.462 14.390 ( 1.492 -1.147 2.624) 3.229 14.524 ( -4.885 -5.252 0.212) 7.176 14.848 ( 0.777 7.089 6.198) 9.449 14.980 ( -0.597 5.437 4.216) 6.906 15.379 ( 4.407 -13.625 8.928) 16.875 15.463 ( 3.433 -15.113 9.967) 18.426 15.830 ( 1.578 3.897 4.645) 6.265 16.045 ( -0.889 0.852 2.795) 3.054 16.061 ( -2.324 -2.140 3.195) 4.493 16.240 ( -3.847 -3.231 1.180) 5.161 16.373 ( 1.060 2.438 0.774) 2.768 16.466 ( 1.766 1.930 -0.656) 2.698 16.582 ( 2.557 -1.946 -0.347) 3.232 16.832 ( -1.404 -9.999 -1.444) 10.200 17.531 ( 1.008 7.665 -0.247) 7.735 17.709 ( -5.859 7.968 -4.109) 10.709 17.864 ( 0.432 -6.211 -0.257) 6.232 17.959 ( -3.279 -2.957 -2.532) 5.090 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 17.155 3.750 -2.023) 17.677 2.428 ( 6.411 2.228 0.648) 6.818 2.699 ( -0.751 -5.235 -1.560) 5.514 2.823 ( -9.466 -10.613 -7.041) 15.868 2.899 ( 7.372 5.810 -2.770) 9.787 3.092 ( -8.652 2.288 -5.133) 10.317 3.183 ( 3.701 -7.346 -3.238) 8.840 3.296 ( -8.152 -6.382 -4.817) 11.419 3.824 ( -0.883 6.233 -0.915) 6.361 3.857 ( -3.723 5.363 0.060) 6.529 4.025 ( -1.713 -2.983 -0.029) 3.440 4.040 ( -3.317 -1.798 -1.119) 3.935 4.960 ( 18.062 5.676 -14.003) 23.549 5.017 ( 21.207 0.902 -15.073) 26.034 5.252 ( -10.649 17.617 -9.149) 22.527 5.478 ( -16.305 4.905 -13.026) 21.438 5.605 ( 5.272 19.237 2.055) 20.052 5.933 ( -18.927 15.649 0.185) 24.559 6.197 ( 11.858 9.245 7.473) 16.791 6.412 ( -9.693 4.160 0.731) 10.573 6.556 ( 16.495 -9.114 7.384) 20.241 6.747 ( -0.416 -5.713 0.165) 5.731 6.910 ( -2.993 -15.060 5.654) 16.362 7.006 ( -9.917 -14.369 3.982) 17.907 7.071 ( -0.081 0.794 -4.949) 5.013 7.120 ( -4.623 -3.079 0.353) 5.566 7.267 ( 2.651 -10.373 -3.236) 11.185 7.350 ( -6.831 -9.578 -3.319) 12.224 8.925 ( 3.017 13.715 3.575) 14.491 8.951 ( 0.385 14.105 3.336) 14.499 9.376 ( 3.965 -5.597 6.047) 9.144 9.425 ( -0.972 -6.458 6.337) 9.100 10.672 ( 8.430 19.114 -0.933) 20.912 10.837 ( -8.516 17.091 -2.298) 19.233 11.464 ( 4.545 -14.440 -1.009) 15.172 11.553 ( -4.667 -13.035 -2.388) 14.050 12.772 ( 14.025 9.734 -4.363) 17.621 13.059 ( -14.304 8.538 -8.528) 18.715 13.233 ( 11.485 -7.875 -7.255) 15.702 13.477 ( -12.228 -6.137 -11.132) 17.638 14.030 ( 4.666 7.089 4.563) 9.635 14.094 ( -1.698 5.416 5.173) 7.679 14.410 ( 1.156 -3.729 2.877) 4.849 14.448 ( -2.972 -5.305 2.681) 6.645 14.890 ( 3.131 8.833 7.099) 11.757 14.949 ( -2.626 7.723 6.092) 10.181 15.454 ( 3.206 -14.652 9.168) 17.579 15.492 ( -0.466 -15.116 9.692) 17.962 15.886 ( 4.174 3.667 4.728) 7.295 15.976 ( -4.845 4.019 4.117) 7.522 16.078 ( 3.089 -4.785 4.407) 7.201 16.157 ( -4.656 -3.713 3.239) 6.779 16.416 ( 2.855 4.286 0.347) 5.162 16.464 ( -1.756 4.903 0.233) 5.213 16.664 ( 5.630 -6.483 -1.762) 8.765 16.770 ( -4.838 -8.609 -1.804) 10.039 17.560 ( 2.099 7.828 -0.733) 8.137 17.616 ( -3.893 8.007 -1.845) 9.093 17.878 ( 1.041 -5.732 -0.625) 5.859 17.907 ( -2.127 -4.633 -1.289) 5.258 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 0.000 -9.770 20.363) 22.586 2.074 ( 0.000 9.770 20.363) 22.586 2.452 ( 0.000 -19.002 16.131) 24.925 2.452 ( 0.000 19.002 16.131) 24.925 3.324 ( 0.000 -5.415 -4.924) 7.319 3.324 ( 0.000 5.415 -4.924) 7.319 3.464 ( 0.000 -2.639 -3.798) 4.625 3.464 ( 0.000 2.639 -3.798) 4.625 3.767 ( 0.000 -4.820 -1.015) 4.926 3.767 ( 0.000 4.820 -1.015) 4.926 4.235 ( 0.000 -7.851 -5.578) 9.631 4.235 ( 0.000 7.851 -5.578) 9.631 4.551 ( 0.000 -5.811 4.243) 7.195 4.551 ( 0.000 5.811 4.243) 7.195 5.259 ( 0.000 -3.173 15.363) 15.687 5.259 ( 0.000 3.173 15.363) 15.687 5.861 ( 0.000 -20.364 5.103) 20.994 5.861 ( 0.000 20.364 5.103) 20.994 6.576 ( 0.000 -26.844 0.559) 26.850 6.576 ( 0.000 26.844 0.559) 26.850 6.856 ( 0.000 -0.032 -8.012) 8.012 6.856 ( 0.000 0.032 -8.012) 8.012 6.931 ( 0.000 -1.848 -14.882) 14.996 6.931 ( 0.000 1.848 -14.882) 14.996 7.440 ( 0.000 -1.035 -7.890) 7.957 7.440 ( 0.000 1.035 -7.890) 7.957 7.944 ( 0.000 -2.482 -2.659) 3.637 7.944 ( 0.000 2.482 -2.659) 3.637 8.784 ( 0.000 -3.048 0.840) 3.162 8.784 ( 0.000 3.048 0.840) 3.162 9.070 ( 0.000 -7.972 2.270) 8.289 9.070 ( 0.000 7.972 2.270) 8.289 10.644 ( 0.000 -14.837 -0.681) 14.853 10.644 ( 0.000 14.837 -0.681) 14.853 11.643 ( 0.000 -9.042 -1.490) 9.163 11.643 ( 0.000 9.042 -1.490) 9.163 12.390 ( 0.000 -1.202 7.663) 7.757 12.390 ( 0.000 1.202 7.663) 7.757 13.809 ( 0.000 -2.999 4.308) 5.250 13.809 ( 0.000 2.999 4.308) 5.250 14.074 ( 0.000 -5.758 -9.976) 11.518 14.074 ( 0.000 5.758 -9.976) 11.518 14.528 ( 0.000 -17.456 -2.096) 17.581 14.528 ( 0.000 17.456 -2.096) 17.581 14.926 ( 0.000 -5.382 8.470) 10.035 14.926 ( 0.000 5.382 8.470) 10.035 15.105 ( 0.000 -1.924 0.660) 2.034 15.105 ( 0.000 1.924 0.660) 2.034 15.954 ( 0.000 -5.974 -3.252) 6.802 15.954 ( 0.000 5.974 -3.252) 6.802 16.202 ( 0.000 -0.603 1.294) 1.428 16.202 ( 0.000 0.603 1.294) 1.428 16.429 ( 0.000 -1.628 2.141) 2.690 16.429 ( 0.000 1.628 2.141) 2.690 16.574 ( 0.000 -3.857 -0.195) 3.862 16.574 ( 0.000 3.857 -0.195) 3.862 17.683 ( 0.000 -8.213 0.159) 8.215 17.683 ( 0.000 8.213 0.159) 8.215 18.100 ( 0.000 -1.393 -10.234) 10.329 18.100 ( 0.000 1.393 -10.234) 10.329 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -5.113 -14.176 17.845) 23.357 1.996 ( -5.113 14.176 17.845) 23.357 2.501 ( 4.100 -16.905 12.285) 21.296 2.501 ( 4.100 16.905 12.285) 21.296 3.248 ( -5.688 -2.021 -5.279) 8.019 3.248 ( -5.688 2.021 -5.279) 8.019 3.545 ( 2.841 -4.142 -3.210) 5.961 3.545 ( 2.841 4.142 -3.210) 5.961 3.788 ( 4.117 -2.098 -2.792) 5.399 3.788 ( 4.117 2.098 -2.792) 5.399 4.227 ( -1.284 -7.680 -6.126) 9.908 4.227 ( -1.284 7.680 -6.126) 9.908 4.546 ( -0.313 -3.987 4.909) 6.332 4.546 ( -0.313 3.987 4.909) 6.332 5.270 ( 2.679 -4.129 14.219) 15.047 5.270 ( 2.679 4.129 14.219) 15.047 5.947 ( 7.731 -18.359 6.522) 20.961 5.947 ( 7.731 18.359 6.522) 20.961 6.509 ( -7.011 -24.810 -1.281) 25.814 6.509 ( -7.011 24.810 -1.281) 25.814 6.830 ( -3.502 -2.613 -7.534) 8.709 6.830 ( -3.502 2.613 -7.534) 8.709 6.886 ( -3.115 -2.008 -13.305) 13.812 6.886 ( -3.115 2.008 -13.305) 13.812 7.406 ( -3.749 -1.256 -6.876) 7.932 7.406 ( -3.749 1.256 -6.876) 7.932 7.841 ( -9.738 -4.148 -2.107) 10.792 7.841 ( -9.738 4.148 -2.107) 10.792 8.833 ( 4.605 -4.274 1.077) 6.375 8.833 ( 4.605 4.274 1.077) 6.375 9.109 ( 3.663 -7.807 3.097) 9.163 9.109 ( 3.663 7.807 3.097) 9.163 10.698 ( 5.223 -15.473 -1.088) 16.367 10.698 ( 5.223 15.473 -1.088) 16.367 11.604 ( -3.823 -9.312 -1.788) 10.224 11.604 ( -3.823 9.312 -1.788) 10.224 12.430 ( 4.145 -2.980 6.582) 8.330 12.430 ( 4.145 2.980 6.582) 8.330 13.797 ( -1.458 -3.969 2.105) 4.723 13.797 ( -1.458 3.969 2.105) 4.723 14.080 ( 0.379 -7.904 -8.708) 11.767 14.080 ( 0.379 7.904 -8.708) 11.767 14.507 ( -2.092 -15.501 -2.462) 15.834 14.507 ( -2.092 15.501 -2.462) 15.834 14.958 ( 2.981 -6.793 8.561) 11.328 14.958 ( 2.981 6.793 8.561) 11.328 15.091 ( -0.776 -2.479 2.729) 3.768 15.091 ( -0.776 2.479 2.729) 3.768 15.956 ( -0.101 -6.410 -1.055) 6.497 15.956 ( -0.101 6.410 -1.055) 6.497 16.197 ( -0.311 -3.954 -0.140) 3.968 16.197 ( -0.311 3.954 -0.140) 3.968 16.412 ( -1.329 -0.837 1.798) 2.387 16.412 ( -1.329 0.837 1.798) 2.387 16.602 ( 2.335 -4.934 0.209) 5.463 16.602 ( 2.335 4.934 0.209) 5.463 17.685 ( 0.212 -8.206 0.119) 8.210 17.685 ( 0.212 8.206 0.119) 8.210 18.062 ( -3.768 -2.575 -9.070) 10.153 18.062 ( -3.768 2.575 -9.070) 10.153 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 4.616 -15.130 8.509) 17.962 1.980 ( 4.616 15.130 8.509) 17.962 2.587 ( 4.802 -13.862 8.288) 16.849 2.587 ( 4.802 13.862 8.288) 16.849 3.131 ( -6.242 -2.467 -5.952) 8.971 3.131 ( -6.242 2.467 -5.952) 8.971 3.500 ( -5.939 -6.958 -3.707) 9.871 3.500 ( -5.939 6.958 -3.707) 9.871 3.915 ( 6.340 -2.287 -5.479) 8.685 3.915 ( 6.340 2.287 -5.479) 8.685 4.171 ( -4.521 -6.179 -5.657) 9.520 4.171 ( -4.521 6.179 -5.657) 9.520 4.553 ( 2.025 -2.995 1.515) 3.920 4.553 ( 2.025 2.995 1.515) 3.920 5.418 ( 13.110 -16.781 14.350) 25.679 5.418 ( 13.110 16.781 14.350) 25.679 6.099 ( 6.632 -15.098 6.508) 17.728 6.099 ( 6.632 15.098 6.508) 17.728 6.319 ( -11.955 -19.275 -6.816) 23.684 6.319 ( -11.955 19.275 -6.816) 23.684 6.703 ( -8.151 -5.721 -4.255) 10.829 6.703 ( -8.151 5.721 -4.255) 10.829 6.867 ( 0.174 -4.761 -8.835) 10.038 6.867 ( 0.174 4.761 -8.835) 10.038 7.298 ( -7.249 -2.148 -5.051) 9.092 7.298 ( -7.249 2.148 -5.051) 9.092 7.616 ( -13.054 -5.374 -1.191) 14.167 7.616 ( -13.054 5.374 -1.191) 14.167 8.942 ( 6.503 -4.883 2.001) 8.374 8.942 ( 6.503 4.883 2.001) 8.374 9.188 ( 4.077 -7.252 4.473) 9.446 9.188 ( 4.077 7.252 4.473) 9.446 10.818 ( 6.889 -16.587 -1.550) 18.027 10.818 ( 6.889 16.587 -1.550) 18.027 11.507 ( -6.136 -10.357 -2.412) 12.278 11.507 ( -6.136 10.357 -2.412) 12.278 12.548 ( 8.311 -6.775 3.623) 11.318 12.548 ( 8.311 6.775 3.623) 11.318 13.734 ( -5.966 -0.645 -4.528) 7.517 13.734 ( -5.966 0.645 -4.528) 7.517 14.088 ( 0.868 -5.678 -3.787) 6.880 14.088 ( 0.868 5.678 -3.787) 6.880 14.455 ( -3.158 -9.832 -1.822) 10.486 14.455 ( -3.158 9.832 -1.822) 10.486 15.014 ( 2.596 -11.458 8.475) 14.487 15.014 ( 2.596 11.458 8.475) 14.487 15.110 ( 2.899 -8.976 6.601) 11.513 15.110 ( 2.899 8.976 6.601) 11.513 15.942 ( -1.189 -6.399 2.756) 7.068 15.942 ( -1.189 6.399 2.756) 7.068 16.192 ( -0.622 -5.382 -1.164) 5.541 16.192 ( -0.622 5.382 -1.164) 5.541 16.397 ( 0.337 -1.011 1.010) 1.468 16.397 ( 0.337 1.011 1.010) 1.468 16.642 ( 1.430 -6.308 0.316) 6.476 16.642 ( 1.430 6.308 0.316) 6.476 17.691 ( 0.455 -8.142 -0.028) 8.154 17.691 ( 0.455 8.142 -0.028) 8.154 17.969 ( -5.570 -4.332 -6.404) 9.528 17.969 ( -5.570 4.332 -6.404) 9.528 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 13.501 -10.201 -0.465) 16.927 2.164 ( 13.501 10.201 -0.465) 16.927 2.668 ( 2.748 -9.373 5.031) 10.987 2.668 ( 2.748 9.373 5.031) 10.987 3.028 ( -3.768 -4.999 -6.056) 8.710 3.028 ( -3.768 4.999 -6.056) 8.710 3.355 ( -8.891 -5.273 -5.157) 11.552 3.355 ( -8.891 5.273 -5.157) 11.552 3.967 ( -0.683 -3.732 -2.746) 4.683 3.967 ( -0.683 3.732 -2.746) 4.683 4.069 ( -5.726 -4.544 -3.236) 7.994 4.069 ( -5.726 4.544 -3.236) 7.994 4.682 ( 12.515 -2.360 -8.067) 15.075 4.682 ( 12.515 2.360 -8.067) 15.075 5.700 ( 9.788 -18.944 6.018) 22.156 5.700 ( 9.788 18.944 6.018) 22.156 5.995 ( -10.434 -6.486 -6.083) 13.709 5.995 ( -10.434 6.486 -6.083) 13.709 6.287 ( 7.217 -16.674 5.292) 18.924 6.287 ( 7.217 16.674 5.292) 18.924 6.555 ( -7.388 -13.898 1.908) 15.855 6.555 ( -7.388 13.898 1.908) 15.855 6.855 ( -2.784 -3.839 -4.471) 6.517 6.855 ( -2.784 3.839 -4.471) 6.517 7.160 ( -5.974 -1.706 -4.003) 7.391 7.160 ( -5.974 1.706 -4.003) 7.391 7.369 ( -12.090 -6.368 -1.100) 13.709 7.369 ( -12.090 6.368 -1.100) 13.709 9.069 ( 6.580 -5.271 3.203) 9.019 9.069 ( 6.580 5.271 3.203) 9.019 9.247 ( 1.698 -6.638 5.181) 8.590 9.247 ( 1.698 6.638 5.181) 8.590 10.950 ( 6.914 -17.078 -1.742) 18.507 10.950 ( 6.914 17.078 -1.742) 18.507 11.377 ( -7.373 -12.315 -2.775) 14.619 11.377 ( -7.373 12.315 -2.775) 14.619 12.744 ( 12.083 -9.826 -0.365) 15.578 12.744 ( 12.083 9.826 -0.365) 15.578 13.555 ( -12.426 -6.865 -9.232) 16.934 13.555 ( -12.426 6.865 -9.232) 16.934 14.129 ( 3.538 -4.418 1.274) 5.802 14.129 ( 3.538 4.418 1.274) 5.802 14.389 ( -3.770 -4.379 -0.016) 5.778 14.389 ( -3.770 4.379 -0.016) 5.778 15.068 ( 3.215 -12.300 8.598) 15.348 15.068 ( 3.215 12.300 8.598) 15.348 15.169 ( 2.333 -10.573 8.590) 13.821 15.169 ( 2.333 10.573 8.590) 13.821 15.931 ( 0.580 -5.332 4.385) 6.928 15.931 ( 0.580 5.332 4.385) 6.928 16.154 ( -3.442 -4.588 1.454) 5.917 16.154 ( -3.442 4.588 1.454) 5.917 16.436 ( 3.634 -3.169 -0.472) 4.845 16.436 ( 3.634 3.169 -0.472) 4.845 16.647 ( -1.016 -6.769 0.000) 6.845 16.647 ( -1.016 6.769 0.000) 6.845 17.704 ( 0.922 -7.928 -0.324) 7.988 17.704 ( 0.922 7.928 -0.324) 7.988 17.864 ( -5.144 -5.772 -3.701) 8.572 17.864 ( -5.144 5.772 -3.701) 8.572 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 13.600 -3.915 -3.464) 14.571 2.436 ( 13.600 3.915 -3.464) 14.571 2.638 ( -6.634 -4.015 -0.714) 7.787 2.638 ( -6.634 4.015 -0.714) 7.787 3.033 ( 4.743 -6.511 -4.286) 9.125 3.033 ( 4.743 6.511 -4.286) 9.125 3.177 ( -9.269 -4.852 -4.945) 11.572 3.177 ( -9.269 4.852 -4.945) 11.572 3.942 ( -0.474 -4.570 -0.235) 4.600 3.942 ( -0.474 4.570 -0.235) 4.600 3.974 ( -3.712 -4.391 -0.847) 5.812 3.974 ( -3.712 4.391 -0.847) 5.812 5.016 ( 21.506 -1.117 -15.321) 26.429 5.016 ( 21.506 1.117 -15.321) 26.429 5.456 ( -23.130 -3.620 -16.743) 28.782 5.456 ( -23.130 3.620 -16.743) 28.782 6.157 ( 15.068 -23.570 7.727) 29.023 6.157 ( 15.068 23.570 7.727) 29.023 6.387 ( -7.895 -13.191 3.848) 15.847 6.387 ( -7.895 13.191 3.848) 15.847 6.477 ( 9.797 -12.824 7.916) 17.975 6.477 ( 9.797 12.824 7.916) 17.975 6.712 ( -11.837 -4.009 3.753) 13.049 6.712 ( -11.837 4.009 3.753) 13.049 7.112 ( 1.019 -2.265 -4.652) 5.274 7.112 ( 1.019 2.265 -4.652) 5.274 7.185 ( -6.687 -5.123 -3.481) 9.114 7.185 ( -6.687 5.123 -3.481) 9.114 9.181 ( 4.876 -5.707 4.273) 8.638 9.181 ( 4.876 5.707 4.273) 8.638 9.246 ( -1.784 -6.144 5.026) 8.135 9.246 ( -1.784 6.144 5.026) 8.135 11.086 ( 7.382 -16.361 -2.121) 18.075 11.086 ( 7.382 16.361 -2.121) 18.075 11.231 ( -7.791 -14.586 -2.606) 16.741 11.231 ( -7.791 14.586 -2.606) 16.741 13.001 ( 14.535 -10.895 -4.473) 18.708 13.001 ( 14.535 10.895 -4.473) 18.708 13.286 ( -15.069 -10.078 -8.026) 19.826 13.286 ( -15.069 10.078 -8.026) 19.826 14.213 ( 4.991 -3.954 2.410) 6.809 14.213 ( 4.991 3.954 2.410) 6.809 14.308 ( -4.738 -2.907 1.576) 5.778 14.308 ( -4.738 2.907 1.576) 5.778 15.132 ( 3.264 -11.825 8.776) 15.084 15.132 ( 3.264 11.825 8.776) 15.084 15.179 ( -1.249 -11.235 9.000) 14.450 15.179 ( -1.249 11.235 9.000) 14.450 15.976 ( 4.050 -4.548 4.573) 7.615 15.976 ( 4.050 4.548 4.573) 7.615 16.069 ( -5.152 -4.336 3.692) 7.680 16.069 ( -5.152 4.336 3.692) 7.680 16.520 ( 4.740 -4.864 -0.727) 6.831 16.520 ( 4.740 4.864 -0.727) 6.831 16.602 ( -3.536 -6.172 -0.404) 7.124 16.602 ( -3.536 6.172 -0.404) 7.124 17.730 ( 1.920 -7.492 -0.838) 7.780 17.730 ( 1.920 7.492 -0.838) 7.780 17.781 ( -3.520 -6.799 -1.834) 7.873 17.781 ( -3.520 6.799 -1.834) 7.873 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 0.000 0.000 22.901) 22.901 2.088 ( 0.000 0.000 25.976) 25.976 2.622 ( 0.000 0.000 -1.053) 1.053 2.801 ( 0.000 0.000 -13.585) 13.585 2.945 ( 0.000 0.000 1.208) 1.208 3.215 ( 0.000 0.000 19.593) 19.593 3.287 ( 0.000 0.000 0.698) 0.698 3.658 ( 0.000 0.000 4.287) 4.287 3.678 ( 0.000 0.000 -8.253) 8.253 3.847 ( 0.000 0.000 -7.787) 7.787 3.925 ( 0.000 0.000 3.309) 3.309 4.645 ( 0.000 0.000 -0.172) 0.172 4.729 ( 0.000 0.000 -10.289) 10.289 4.783 ( 0.000 0.000 6.215) 6.215 4.983 ( 0.000 0.000 0.458) 0.458 5.322 ( 0.000 0.000 12.944) 12.944 5.485 ( 0.000 0.000 22.845) 22.845 5.717 ( 0.000 0.000 17.792) 17.792 6.369 ( 0.000 0.000 -23.933) 23.933 6.713 ( 0.000 0.000 -18.611) 18.611 6.734 ( 0.000 0.000 -10.170) 10.170 6.869 ( 0.000 0.000 -14.451) 14.451 7.203 ( 0.000 0.000 6.789) 6.789 7.324 ( 0.000 0.000 -3.370) 3.370 7.402 ( 0.000 0.000 -7.705) 7.705 7.442 ( 0.000 0.000 -0.711) 0.711 8.091 ( 0.000 0.000 -2.859) 2.859 8.162 ( 0.000 0.000 4.829) 4.829 8.209 ( 0.000 0.000 3.998) 3.998 8.457 ( 0.000 0.000 -13.597) 13.597 8.842 ( 0.000 0.000 6.421) 6.421 9.052 ( 0.000 0.000 -2.798) 2.798 10.003 ( 0.000 0.000 13.060) 13.060 10.672 ( 0.000 0.000 -7.877) 7.877 11.592 ( 0.000 0.000 6.851) 6.851 11.957 ( 0.000 0.000 -4.798) 4.798 12.492 ( 0.000 0.000 10.068) 10.068 12.529 ( 0.000 0.000 14.367) 14.367 13.340 ( 0.000 0.000 -12.389) 12.389 13.657 ( 0.000 0.000 -1.397) 1.397 13.828 ( 0.000 0.000 -11.694) 11.694 14.150 ( 0.000 0.000 13.797) 13.797 14.222 ( 0.000 0.000 -8.594) 8.594 14.425 ( 0.000 0.000 7.547) 7.547 14.871 ( 0.000 0.000 -4.680) 4.680 15.055 ( 0.000 0.000 -6.696) 6.696 15.641 ( 0.000 0.000 1.964) 1.964 15.714 ( 0.000 0.000 5.634) 5.634 15.780 ( 0.000 0.000 -3.877) 3.877 15.957 ( 0.000 0.000 1.965) 1.965 16.359 ( 0.000 0.000 6.526) 6.526 16.401 ( 0.000 0.000 0.353) 0.353 16.441 ( 0.000 0.000 1.567) 1.567 16.464 ( 0.000 0.000 1.256) 1.256 16.676 ( 0.000 0.000 -7.327) 7.327 17.040 ( 0.000 0.000 -10.127) 10.127 17.329 ( 0.000 0.000 -0.034) 0.034 17.347 ( 0.000 0.000 -0.753) 0.753 18.004 ( 0.000 0.000 -0.314) 0.314 18.009 ( 0.000 0.000 0.132) 0.132 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 13.478 0.000 21.393) 25.285 1.873 ( -15.794 0.000 28.768) 32.819 2.589 ( -1.783 0.000 -3.977) 4.359 2.843 ( 4.101 0.000 -10.705) 11.463 3.022 ( 0.567 0.000 -2.971) 3.025 3.282 ( -0.461 0.000 -1.206) 1.291 3.384 ( 17.852 0.000 14.347) 22.903 3.538 ( -8.768 0.000 -0.571) 8.787 3.750 ( 2.046 0.000 -3.422) 3.988 3.814 ( -3.450 0.000 -7.794) 8.524 3.952 ( 4.710 0.000 7.985) 9.270 4.594 ( -5.068 0.000 0.220) 5.073 4.676 ( -6.019 0.000 -6.651) 8.970 4.704 ( -8.346 0.000 10.748) 13.608 4.871 ( -8.503 0.000 2.685) 8.917 4.953 ( -19.389 0.000 7.485) 20.784 5.748 ( 2.279 0.000 13.675) 13.863 5.900 ( 24.094 0.000 18.567) 30.418 6.337 ( -3.984 0.000 -23.358) 23.695 6.492 ( -13.782 0.000 -20.263) 24.506 6.796 ( -7.120 0.000 -13.955) 15.666 6.845 ( 1.777 0.000 -5.076) 5.378 7.238 ( 3.566 0.000 6.907) 7.773 7.251 ( -7.436 0.000 -4.055) 8.470 7.356 ( -2.330 0.000 -7.969) 8.303 7.452 ( 0.747 0.000 -0.333) 0.818 7.999 ( -8.574 0.000 -2.388) 8.900 8.241 ( 7.028 0.000 4.044) 8.109 8.259 ( -15.482 0.000 -8.807) 17.812 8.264 ( 5.205 0.000 3.701) 6.387 9.008 ( 12.167 0.000 3.964) 12.797 9.175 ( 11.838 0.000 -3.337) 12.300 10.009 ( 0.606 0.000 12.887) 12.901 10.681 ( 0.371 0.000 -7.451) 7.460 11.609 ( 1.830 0.000 6.259) 6.521 11.944 ( -1.335 0.000 -4.040) 4.255 12.461 ( -5.891 0.000 11.926) 13.302 12.564 ( 7.330 0.000 7.340) 10.373 13.347 ( 0.448 0.000 -12.849) 12.857 13.572 ( -14.523 0.000 -18.412) 23.451 13.836 ( 9.880 0.000 7.254) 12.257 14.102 ( -3.704 0.000 13.335) 13.840 14.361 ( 9.911 0.000 -6.683) 11.953 14.470 ( 3.337 0.000 7.339) 8.062 14.868 ( -0.692 0.000 -5.781) 5.823 14.996 ( -5.336 0.000 -5.575) 7.717 15.656 ( 1.593 0.000 2.101) 2.637 15.744 ( 3.172 0.000 7.276) 7.938 15.800 ( 2.219 0.000 -3.628) 4.253 15.994 ( 3.540 0.000 3.142) 4.734 16.280 ( -4.000 0.000 2.947) 4.968 16.423 ( -1.811 0.000 1.764) 2.528 16.458 ( -0.768 0.000 0.981) 1.246 16.486 ( 4.643 0.000 3.323) 5.710 16.600 ( -6.108 0.000 -5.232) 8.043 17.092 ( 3.587 0.000 -11.373) 11.925 17.327 ( -0.131 0.000 0.115) 0.174 17.354 ( 0.625 0.000 -0.674) 0.919 18.001 ( -0.280 0.000 -0.208) 0.349 18.009 ( 0.001 0.000 0.033) 0.033 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.769 0.000 23.196) 23.209 1.844 ( 21.024 0.000 18.301) 27.873 2.551 ( -2.096 0.000 -5.451) 5.840 2.936 ( 5.047 0.000 -2.653) 5.702 3.017 ( -0.363 0.000 -1.609) 1.650 3.273 ( -0.433 0.000 -6.328) 6.343 3.312 ( -13.811 0.000 -8.418) 16.174 3.606 ( -0.251 0.000 -4.124) 4.131 3.718 ( -6.544 0.000 -7.778) 10.165 3.835 ( 9.062 0.000 4.038) 9.921 4.140 ( 15.079 0.000 16.805) 22.579 4.471 ( -8.253 0.000 -1.489) 8.386 4.518 ( -8.427 0.000 0.702) 8.456 4.519 ( -6.918 0.000 14.398) 15.973 4.647 ( -14.132 0.000 -1.783) 14.244 4.746 ( -4.891 0.000 0.400) 4.907 5.796 ( 3.370 0.000 8.717) 9.346 6.107 ( -14.829 0.000 -24.326) 28.490 6.187 ( -12.243 0.000 -20.723) 24.070 6.381 ( 12.578 0.000 15.642) 20.071 6.631 ( -9.190 0.000 -11.901) 15.036 6.822 ( -0.938 0.000 0.363) 1.006 7.060 ( -11.598 0.000 -5.639) 12.896 7.324 ( 4.485 0.000 5.934) 7.438 7.366 ( 2.367 0.000 -5.971) 6.423 7.451 ( -1.477 0.000 0.331) 1.514 7.823 ( -8.329 0.000 -1.141) 8.406 7.956 ( -15.112 0.000 -6.186) 16.329 8.375 ( 6.426 0.000 3.665) 7.398 8.392 ( 7.340 0.000 2.752) 7.839 9.238 ( 11.809 0.000 4.787) 12.742 9.439 ( 14.260 0.000 -1.688) 14.359 10.024 ( 1.025 0.000 11.482) 11.527 10.662 ( -2.867 0.000 -5.979) 6.631 11.666 ( 4.207 0.000 4.724) 6.326 11.912 ( -1.702 0.000 -2.174) 2.761 12.357 ( -4.005 0.000 7.481) 8.485 12.747 ( 11.041 0.000 0.957) 11.082 13.246 ( -17.983 0.000 -17.912) 25.382 13.342 ( -1.327 0.000 -13.400) 13.466 14.054 ( -0.535 0.000 12.773) 12.784 14.088 ( 14.298 0.000 9.832) 17.352 14.514 ( 0.934 0.000 6.382) 6.450 14.518 ( 6.012 0.000 -2.394) 6.471 14.803 ( -6.343 0.000 -7.187) 9.586 14.918 ( -2.073 0.000 -2.564) 3.297 15.703 ( 3.342 0.000 2.683) 4.286 15.826 ( 4.954 0.000 8.945) 10.225 15.864 ( 4.328 0.000 -2.502) 4.999 16.069 ( 3.403 0.000 6.522) 7.356 16.244 ( 0.953 0.000 1.331) 1.637 16.376 ( -2.970 0.000 2.124) 3.651 16.433 ( -1.851 0.000 0.509) 1.920 16.466 ( -5.656 0.000 -1.138) 5.770 16.581 ( 3.617 0.000 1.577) 3.946 17.126 ( -0.502 0.000 -11.166) 11.177 17.326 ( 0.079 0.000 0.358) 0.367 17.366 ( 0.491 0.000 -0.452) 0.668 17.996 ( -0.286 0.000 -0.092) 0.301 18.008 ( -0.106 0.000 -0.089) 0.138 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 17.236 0.000 9.132) 19.506 2.270 ( 22.664 0.000 14.887) 27.116 2.531 ( 0.580 0.000 -4.745) 4.781 2.958 ( -7.770 0.000 -7.804) 11.012 3.004 ( 0.947 0.000 5.999) 6.074 3.036 ( -14.310 0.000 -10.525) 17.764 3.276 ( 1.338 0.000 -10.562) 10.647 3.571 ( -8.389 0.000 -7.061) 10.966 3.587 ( 1.643 0.000 2.565) 3.047 3.913 ( -1.367 0.000 -1.100) 1.754 4.293 ( -9.044 0.000 -2.450) 9.370 4.378 ( -13.140 0.000 -2.497) 13.375 4.406 ( -0.296 0.000 7.674) 7.680 4.488 ( 14.128 0.000 12.308) 18.737 4.540 ( 8.084 0.000 4.111) 9.070 4.677 ( 0.423 0.000 -4.789) 4.808 5.705 ( -24.113 0.000 -23.724) 33.827 5.821 ( -13.437 0.000 -15.875) 20.798 5.951 ( 0.994 0.000 4.700) 4.804 6.467 ( -8.121 0.000 -7.748) 11.224 6.527 ( 1.634 0.000 2.351) 2.863 6.839 ( -11.008 0.000 -6.728) 12.901 6.943 ( 12.611 0.000 8.292) 15.092 7.326 ( -4.832 0.000 -1.659) 5.109 7.396 ( -0.139 0.000 -1.157) 1.165 7.418 ( -2.319 0.000 2.362) 3.310 7.696 ( -5.150 0.000 -0.230) 5.155 7.758 ( -3.877 0.000 -0.810) 3.960 8.486 ( 5.013 0.000 3.215) 5.956 8.510 ( 4.771 0.000 2.459) 5.367 9.451 ( 10.360 0.000 6.599) 12.283 9.668 ( 8.393 0.000 3.425) 9.065 10.062 ( 3.867 0.000 6.367) 7.449 10.564 ( -7.310 0.000 -4.157) 8.409 11.758 ( 4.926 0.000 3.046) 5.792 11.887 ( -0.854 0.000 -0.383) 0.936 12.332 ( 1.723 0.000 2.660) 3.169 12.914 ( -16.534 0.000 -14.205) 21.798 12.950 ( 9.571 0.000 -5.333) 10.957 13.290 ( -3.947 0.000 -12.809) 13.403 14.096 ( 4.793 0.000 11.418) 12.383 14.336 ( 11.164 0.000 9.300) 14.530 14.494 ( -3.650 0.000 7.389) 8.241 14.588 ( 1.535 0.000 1.341) 2.039 14.697 ( -2.963 0.000 -5.102) 5.900 14.876 ( -3.024 0.000 -3.125) 4.349 15.785 ( 5.225 0.000 3.929) 6.538 15.916 ( 4.249 0.000 8.356) 9.374 15.949 ( 3.773 0.000 0.162) 3.776 16.100 ( -0.141 0.000 7.432) 7.433 16.310 ( 4.489 0.000 3.638) 5.778 16.316 ( -2.910 0.000 1.926) 3.490 16.381 ( -2.645 0.000 1.457) 3.020 16.389 ( -2.726 0.000 0.131) 2.729 16.657 ( 4.755 0.000 -0.366) 4.769 17.069 ( -5.292 0.000 -9.077) 10.507 17.331 ( 0.489 0.000 0.430) 0.652 17.370 ( -0.155 0.000 -0.158) 0.221 17.992 ( -0.059 0.000 -0.050) 0.077 18.005 ( -0.250 0.000 -0.189) 0.314 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 22.022 0.000 -0.998) 22.044 2.561 ( -1.657 0.000 0.702) 1.799 2.672 ( 18.494 0.000 11.356) 21.702 2.726 ( -10.607 0.000 -17.510) 20.472 2.799 ( -10.555 0.000 -9.118) 13.948 2.936 ( -8.611 0.000 8.693) 12.236 3.331 ( 4.034 0.000 -8.770) 9.653 3.426 ( -6.264 0.000 -6.766) 9.220 3.683 ( 7.240 0.000 4.302) 8.421 3.824 ( -6.847 0.000 1.555) 7.021 4.157 ( -4.010 0.000 -3.018) 5.019 4.179 ( -6.442 0.000 -2.759) 7.008 4.429 ( 3.151 0.000 4.321) 5.348 4.510 ( -4.700 0.000 6.310) 7.868 4.810 ( 19.196 0.000 -7.303) 20.539 4.970 ( 22.378 0.000 -5.731) 23.100 5.234 ( -24.364 0.000 -16.668) 29.520 5.415 ( -23.628 0.000 -13.199) 27.065 6.113 ( 10.558 0.000 4.162) 11.349 6.306 ( -9.234 0.000 -1.834) 9.414 6.556 ( 2.964 0.000 -5.705) 6.429 6.657 ( -7.640 0.000 -7.706) 10.851 7.184 ( 11.078 0.000 8.100) 13.724 7.255 ( -0.779 0.000 -3.968) 4.044 7.313 ( -6.195 0.000 -3.335) 7.036 7.344 ( -5.525 0.000 3.851) 6.735 7.684 ( 2.051 0.000 3.409) 3.978 7.721 ( -1.521 0.000 2.715) 3.112 8.557 ( 2.271 0.000 2.827) 3.626 8.568 ( 1.225 0.000 2.538) 2.818 9.624 ( 7.530 0.000 8.355) 11.248 9.723 ( -2.134 0.000 8.619) 8.879 10.198 ( 9.746 0.000 -0.239) 9.749 10.394 ( -10.106 0.000 -2.568) 10.427 11.837 ( 3.028 0.000 1.880) 3.564 11.873 ( -1.000 0.000 0.929) 1.365 12.425 ( 7.957 0.000 -2.783) 8.430 12.628 ( -13.087 0.000 -8.723) 15.728 13.101 ( 6.337 0.000 -9.578) 11.484 13.204 ( -4.855 0.000 -11.692) 12.660 14.221 ( 7.843 0.000 10.124) 12.806 14.376 ( -7.866 0.000 8.999) 11.952 14.503 ( 6.288 0.000 6.989) 9.401 14.582 ( -2.162 0.000 4.249) 4.767 14.710 ( 3.537 0.000 -3.812) 5.200 14.798 ( -4.884 0.000 -3.327) 5.909 15.893 ( 5.690 0.000 5.062) 7.616 15.974 ( -1.795 0.000 3.964) 4.351 15.992 ( 3.946 0.000 6.701) 7.777 16.064 ( -3.320 0.000 6.243) 7.071 16.290 ( 0.679 0.000 0.319) 0.750 16.332 ( -3.023 0.000 -0.153) 3.027 16.365 ( 0.999 0.000 5.210) 5.305 16.370 ( 0.765 0.000 6.643) 6.687 16.778 ( 7.833 0.000 -3.866) 8.735 16.937 ( -8.189 0.000 -6.522) 10.469 17.344 ( 0.844 0.000 0.325) 0.904 17.360 ( -0.750 0.000 0.118) 0.759 17.994 ( 0.219 0.000 -0.115) 0.247 17.999 ( -0.332 0.000 -0.196) 0.386 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 25.370 16.607) 30.322 2.195 ( 0.000 9.541 24.292) 26.098 2.585 ( 0.000 -2.164 2.311) 3.166 2.926 ( 0.000 9.294 -12.152) 15.298 2.955 ( 0.000 0.859 1.580) 1.798 3.217 ( 0.000 -0.186 17.800) 17.801 3.355 ( 0.000 5.647 -0.711) 5.691 3.560 ( 0.000 -7.511 2.767) 8.004 3.655 ( 0.000 -2.446 -11.392) 11.652 3.834 ( 0.000 -2.568 -0.301) 2.586 3.907 ( 0.000 0.166 -1.357) 1.368 4.533 ( 0.000 -10.019 -7.704) 12.638 4.652 ( 0.000 -1.994 -0.799) 2.149 5.065 ( 0.000 11.640 5.171) 12.736 5.071 ( 0.000 13.309 10.819) 17.152 5.311 ( 0.000 3.041 5.325) 6.132 5.518 ( 0.000 2.566 21.837) 21.988 5.723 ( 0.000 0.713 17.802) 17.816 6.366 ( 0.000 -0.225 -23.116) 23.117 6.673 ( 0.000 -3.475 -19.088) 19.402 6.708 ( 0.000 -2.506 -9.568) 9.891 6.824 ( 0.000 -3.496 -12.244) 12.733 7.088 ( 0.000 -10.151 5.820) 11.701 7.295 ( 0.000 -5.430 -3.696) 6.569 7.369 ( 0.000 -2.682 -7.486) 7.952 7.378 ( 0.000 -3.364 -2.928) 4.460 7.905 ( 0.000 -8.005 -0.873) 8.052 8.106 ( 0.000 -6.876 -1.814) 7.111 8.430 ( 0.000 14.776 1.555) 14.857 8.574 ( 0.000 8.071 -6.706) 10.493 8.906 ( 0.000 4.965 7.194) 8.741 9.114 ( 0.000 4.500 -1.936) 4.899 10.103 ( 0.000 9.060 10.633) 13.970 10.705 ( 0.000 2.666 -7.911) 8.348 11.569 ( 0.000 -1.842 6.286) 6.551 11.899 ( 0.000 -5.058 -4.360) 6.678 12.530 ( 0.000 3.166 10.666) 11.126 12.545 ( 0.000 1.399 14.319) 14.387 13.403 ( 0.000 5.767 -12.375) 13.653 13.708 ( 0.000 4.502 -1.675) 4.804 13.818 ( 0.000 -0.396 -10.836) 10.843 14.155 ( 0.000 -4.833 -3.196) 5.794 14.192 ( 0.000 3.458 11.287) 11.805 14.501 ( 0.000 5.341 1.610) 5.578 14.861 ( 0.000 -0.592 -3.625) 3.673 15.033 ( 0.000 -1.580 -5.300) 5.531 15.613 ( 0.000 -8.332 4.551) 9.494 15.619 ( 0.000 -3.614 2.298) 4.283 15.814 ( 0.000 2.201 -3.347) 4.006 15.872 ( 0.000 -5.921 1.921) 6.225 16.336 ( 0.000 -1.921 5.619) 5.938 16.380 ( 0.000 -1.666 0.888) 1.888 16.441 ( 0.000 0.002 1.525) 1.525 16.481 ( 0.000 1.258 0.795) 1.488 16.654 ( 0.000 -1.892 -6.151) 6.435 16.828 ( 0.000 -13.257 -2.969) 13.586 17.380 ( 0.000 4.552 0.136) 4.554 17.537 ( 0.000 11.475 -7.591) 13.758 17.969 ( 0.000 -3.638 0.197) 3.644 18.002 ( 0.000 -0.379 -1.615) 1.659 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 9.324 22.486 16.171) 29.224 1.972 ( -16.497 9.119 26.713) 32.694 2.556 ( -1.663 -2.518 -0.124) 3.020 2.923 ( 0.590 5.573 -7.834) 9.632 3.037 ( 1.332 1.535 -2.442) 3.177 3.347 ( 0.268 4.641 -1.710) 4.953 3.390 ( 15.669 0.054 12.987) 20.351 3.480 ( -7.248 -4.632 -4.794) 9.847 3.669 ( -1.043 -6.318 -4.738) 7.966 3.809 ( -1.983 -0.897 -4.702) 5.182 3.925 ( 3.096 -0.919 3.980) 5.125 4.487 ( -5.217 -9.621 -6.643) 12.803 4.621 ( -1.913 0.600 3.314) 3.873 4.866 ( -16.141 5.525 15.564) 23.094 4.969 ( -10.547 8.888 7.790) 15.840 5.147 ( -5.948 20.345 -2.936) 21.399 5.766 ( 3.422 2.063 14.237) 14.787 5.866 ( 22.114 -2.919 18.589) 29.036 6.331 ( -4.296 -0.473 -22.633) 23.042 6.475 ( -12.837 -1.547 -20.227) 24.007 6.747 ( -5.676 -3.984 -10.012) 12.179 6.806 ( 0.701 -3.596 -6.607) 7.554 7.127 ( 3.616 -9.585 5.716) 11.731 7.254 ( -3.944 -2.510 -4.747) 6.663 7.303 ( -4.150 -3.249 -5.961) 7.956 7.398 ( 0.837 -3.882 -3.376) 5.212 7.842 ( -6.360 -8.977 -1.151) 11.062 8.053 ( -6.988 -8.620 -4.500) 11.975 8.464 ( 3.530 14.343 2.177) 14.931 8.511 ( -1.681 12.127 -0.512) 12.253 9.047 ( 10.809 2.908 4.874) 12.209 9.219 ( 10.140 2.993 -2.118) 10.783 10.112 ( 0.986 9.484 10.411) 14.118 10.722 ( 1.230 3.487 -7.765) 8.600 11.574 ( 0.628 -2.973 5.844) 6.587 11.880 ( -1.910 -5.548 -3.828) 7.006 12.490 ( -4.716 2.488 12.017) 13.147 12.596 ( 6.664 2.551 8.280) 10.931 13.406 ( 0.118 5.339 -12.830) 13.897 13.607 ( -14.177 3.001 -18.664) 23.629 13.849 ( 9.067 1.242 7.470) 11.813 14.091 ( -3.126 -0.755 8.869) 9.434 14.332 ( 8.408 -1.358 1.608) 8.668 14.540 ( 3.101 4.357 0.390) 5.362 14.859 ( -0.537 -0.356 -4.167) 4.217 14.988 ( -3.963 -0.358 -4.212) 5.795 15.618 ( 1.305 -5.785 4.043) 7.177 15.661 ( 3.852 -5.877 4.261) 8.218 15.830 ( 1.768 1.414 -2.000) 3.021 15.918 ( 4.252 -4.753 2.417) 6.820 16.265 ( -3.965 -1.297 2.800) 5.024 16.413 ( -1.052 -1.407 1.903) 2.590 16.440 ( 0.691 -0.931 1.602) 1.978 16.499 ( 1.993 0.909 1.782) 2.824 16.563 ( -6.225 -3.088 -3.554) 7.805 16.907 ( 5.154 -11.192 -5.260) 13.397 17.381 ( 0.141 4.590 0.205) 4.597 17.527 ( -1.039 10.647 -6.786) 12.668 17.969 ( -0.037 -3.590 0.133) 3.593 17.998 ( -0.382 -0.552 -1.506) 1.649 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -2.392 7.267 21.757) 23.063 2.051 ( 15.164 15.609 14.871) 26.358 2.524 ( -1.319 -2.465 -2.782) 3.944 2.924 ( -0.521 -0.199 0.630) 0.841 3.067 ( 2.065 3.146 -3.725) 5.295 3.271 ( -12.161 -3.337 -9.131) 15.569 3.325 ( -3.216 1.501 -3.481) 4.971 3.585 ( -4.260 -3.005 -2.176) 5.649 3.633 ( 1.653 -3.765 -5.765) 7.081 3.820 ( 4.547 -1.047 -3.134) 5.621 4.041 ( 8.298 -5.200 7.008) 12.042 4.341 ( -9.107 -8.521 -3.827) 13.046 4.587 ( -11.273 4.846 10.720) 16.294 4.633 ( 2.782 6.194 9.228) 11.457 4.773 ( -7.687 11.467 5.236) 14.765 5.034 ( -6.429 24.037 -2.706) 25.029 5.832 ( 3.864 3.773 8.043) 9.688 6.065 ( -14.062 -2.603 -21.559) 25.871 6.223 ( -9.433 2.031 -18.945) 21.261 6.337 ( 11.578 -4.025 14.228) 18.780 6.602 ( -8.104 -2.208 -9.110) 12.391 6.789 ( -0.495 -3.292 -0.306) 3.343 7.086 ( -10.194 1.216 -6.554) 12.180 7.225 ( 4.141 -8.197 5.715) 10.816 7.303 ( 2.444 -5.740 -5.072) 8.040 7.390 ( -2.432 -4.501 -1.677) 5.384 7.693 ( -8.004 -10.000 -0.583) 12.822 7.851 ( -12.288 -7.356 -5.340) 15.285 8.540 ( 4.606 12.319 3.045) 13.500 8.567 ( 5.460 13.341 1.933) 14.544 9.257 ( 10.865 1.125 5.217) 12.104 9.444 ( 12.009 -0.313 -0.321) 12.017 10.140 ( 1.961 10.687 8.872) 14.027 10.723 ( -1.776 5.472 -6.753) 8.872 11.602 ( 2.501 -5.746 4.418) 7.667 11.834 ( -2.574 -6.608 -2.592) 7.550 12.412 ( -2.537 4.600 7.778) 9.386 12.763 ( 10.099 1.015 2.609) 10.479 13.297 ( -16.509 4.531 -17.329) 24.359 13.398 ( -1.861 4.731 -13.694) 14.607 14.000 ( 2.772 -2.551 10.530) 11.184 14.114 ( 8.269 0.822 8.535) 11.913 14.452 ( 3.927 -2.400 3.754) 5.940 14.586 ( 1.353 1.466 -1.704) 2.624 14.819 ( -3.470 2.405 -3.152) 5.269 14.932 ( -1.244 1.835 -1.626) 2.749 15.665 ( 3.622 -5.029 4.381) 7.590 15.761 ( 6.302 -5.472 5.547) 10.021 15.876 ( 2.700 -0.095 0.912) 2.851 16.005 ( 3.997 -3.183 4.596) 6.872 16.223 ( 0.107 -1.979 1.582) 2.536 16.369 ( -3.204 -1.310 1.461) 3.757 16.424 ( -2.961 -1.242 -0.418) 3.238 16.451 ( -2.922 -0.362 0.463) 2.980 16.565 ( 3.085 -1.016 1.768) 3.698 16.975 ( 1.576 -9.798 -6.340) 11.776 17.384 ( 0.220 4.702 0.268) 4.715 17.499 ( -1.818 8.852 -4.673) 10.174 17.968 ( -0.126 -3.435 -0.037) 3.438 17.989 ( -0.623 -1.150 -1.146) 1.738 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 15.327 4.026 8.836) 18.144 2.341 ( 13.166 4.115 11.506) 17.962 2.550 ( 5.927 2.326 -3.356) 7.197 2.884 ( -4.839 -3.892 0.583) 6.237 3.000 ( -13.624 -1.250 -10.728) 17.386 3.088 ( -3.025 2.579 -2.819) 4.873 3.267 ( -1.440 -3.272 -5.061) 6.196 3.475 ( -6.411 -6.048 -2.942) 9.291 3.641 ( 1.581 4.119 -2.332) 4.991 3.870 ( -0.577 -2.381 -1.773) 3.024 4.148 ( -2.434 -5.917 0.809) 6.449 4.184 ( -4.832 -8.158 -3.038) 9.956 4.484 ( 2.717 3.821 2.486) 5.307 4.598 ( -1.938 1.984 -0.005) 2.773 4.826 ( 3.194 19.694 5.599) 20.722 4.936 ( 2.472 22.951 1.680) 23.145 5.664 ( -23.839 -2.230 -22.361) 32.761 5.873 ( -8.113 4.631 -11.725) 14.992 6.031 ( -1.078 6.644 2.911) 7.334 6.449 ( -6.116 -0.699 -4.957) 7.904 6.536 ( 3.881 -0.145 2.920) 4.859 6.858 ( -2.513 -1.629 2.670) 4.012 6.914 ( 3.473 0.080 -2.895) 4.523 7.244 ( -4.265 -6.520 -1.088) 7.867 7.306 ( -4.794 -7.596 -0.474) 8.995 7.350 ( 1.395 -5.870 0.605) 6.064 7.580 ( -3.450 -10.248 1.149) 10.874 7.660 ( -6.298 -7.954 -1.676) 10.283 8.633 ( 4.568 11.844 3.051) 13.056 8.663 ( 4.093 12.463 2.191) 13.300 9.453 ( 9.455 -0.466 6.559) 11.517 9.633 ( 6.824 -3.450 3.921) 8.594 10.197 ( 4.517 12.063 4.626) 13.687 10.644 ( -6.424 7.381 -4.977) 10.978 11.663 ( 3.514 -8.513 2.412) 9.520 11.791 ( -1.824 -7.966 -1.515) 8.311 12.414 ( 2.910 6.617 3.387) 7.983 12.932 ( 1.100 0.981 -5.607) 5.798 13.012 ( -6.990 5.520 -11.131) 14.256 13.337 ( -4.470 3.798 -12.999) 14.261 14.054 ( 4.353 -2.495 9.820) 11.027 14.263 ( 4.620 -4.742 7.456) 9.971 14.493 ( 1.133 -1.126 4.237) 4.528 14.592 ( -0.462 -1.445 -0.631) 1.643 14.774 ( -0.475 6.983 0.787) 7.043 14.912 ( -1.541 3.922 -1.062) 4.345 15.755 ( 5.689 -4.673 5.202) 9.015 15.878 ( 5.075 -3.104 6.829) 9.057 15.924 ( 2.396 -4.338 3.031) 5.809 16.042 ( -0.352 -1.328 4.887) 5.076 16.258 ( 1.762 -4.275 4.000) 6.114 16.309 ( -2.060 -1.216 0.951) 2.574 16.374 ( -1.170 0.332 1.384) 1.842 16.418 ( -1.177 1.924 0.459) 2.302 16.628 ( 3.921 -2.361 0.096) 4.578 16.960 ( -3.138 -7.975 -6.199) 10.577 17.390 ( 0.470 4.868 0.181) 4.894 17.462 ( -1.886 7.039 -2.297) 7.640 17.965 ( -0.151 -3.180 -0.226) 3.191 17.977 ( -0.567 -2.073 -0.698) 2.260 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 20.383 0.919 -0.931) 20.425 2.499 ( 3.247 -2.942 3.753) 5.769 2.700 ( -10.234 -2.284 -15.619) 18.813 2.722 ( -4.772 -1.098 -0.723) 4.950 2.801 ( 6.272 3.576 1.138) 7.309 2.991 ( -7.615 2.837 3.773) 8.959 3.284 ( 2.456 -5.398 -5.986) 8.426 3.357 ( -5.324 -6.215 -5.068) 9.625 3.713 ( 5.294 3.482 3.365) 7.175 3.813 ( -4.642 0.138 1.742) 4.960 4.058 ( -2.481 -3.867 -1.124) 4.729 4.088 ( -5.159 -4.262 -1.011) 6.767 4.592 ( 5.483 7.504 -3.458) 9.916 4.715 ( -4.130 13.387 -4.408) 14.686 4.759 ( 14.620 -0.270 -10.076) 17.758 5.120 ( -6.812 3.844 -10.796) 13.331 5.268 ( -0.158 12.402 -3.476) 12.881 5.565 ( -18.562 12.489 -7.367) 23.554 6.162 ( 9.192 4.723 4.147) 11.135 6.323 ( -7.319 2.011 -1.816) 7.804 6.597 ( 3.838 3.126 -3.858) 6.276 6.705 ( -7.413 3.755 -6.344) 10.455 7.104 ( 6.116 -6.349 3.643) 9.539 7.169 ( -1.836 -8.445 -2.635) 9.035 7.208 ( -0.707 -6.368 -0.077) 6.408 7.319 ( -5.148 -3.855 2.524) 6.909 7.566 ( 1.191 -10.344 3.443) 10.967 7.595 ( -1.787 -11.328 2.643) 11.769 8.700 ( 2.238 11.846 2.748) 12.365 8.712 ( 1.009 12.057 2.423) 12.339 9.607 ( 6.497 -2.118 7.770) 10.348 9.685 ( -1.159 -3.739 7.512) 8.470 10.322 ( 8.303 11.216 -0.305) 13.959 10.492 ( -8.982 9.122 -3.048) 13.160 11.723 ( 2.573 -9.871 0.659) 10.223 11.761 ( -1.568 -9.360 -0.582) 9.508 12.521 ( 8.138 7.770 -1.537) 11.356 12.716 ( -12.132 7.400 -7.251) 15.953 13.120 ( 6.904 1.103 -8.366) 10.903 13.238 ( -5.679 2.490 -11.285) 12.877 14.160 ( 6.143 -3.851 8.656) 11.291 14.263 ( -3.825 -6.173 7.629) 10.533 14.525 ( 2.423 -1.225 2.922) 3.989 14.571 ( -1.886 -2.230 1.524) 3.295 14.803 ( 3.013 8.123 1.517) 8.796 14.866 ( -3.181 6.394 0.210) 7.145 15.872 ( 6.024 -6.029 6.157) 10.514 15.945 ( 2.603 -0.539 5.734) 6.320 15.951 ( -0.903 -9.397 6.131) 11.257 16.001 ( -3.224 1.867 4.299) 5.688 16.261 ( 0.592 -2.939 2.677) 4.019 16.290 ( -1.542 -2.497 2.730) 4.008 16.381 ( 1.407 1.491 3.260) 3.851 16.405 ( -0.688 2.450 2.570) 3.617 16.730 ( 6.690 -4.006 -3.047) 8.372 16.863 ( -6.616 -5.883 -5.059) 10.197 17.404 ( 1.026 5.103 -0.096) 5.206 17.429 ( -1.540 5.724 -0.778) 5.978 17.963 ( 0.074 -2.999 -0.334) 3.019 17.968 ( -0.363 -2.754 -0.441) 2.813 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 16.935 13.809) 21.852 2.458 ( 0.000 11.728 18.353) 21.780 2.547 ( 0.000 0.556 12.183) 12.196 2.961 ( 0.000 -1.924 5.394) 5.727 3.121 ( 0.000 7.190 -11.420) 13.495 3.204 ( 0.000 -0.109 6.516) 6.517 3.402 ( 0.000 -4.687 -0.506) 4.714 3.505 ( 0.000 -10.134 -5.257) 11.417 3.510 ( 0.000 7.479 -2.849) 8.003 3.851 ( 0.000 0.473 -6.790) 6.807 3.892 ( 0.000 1.220 -4.270) 4.441 4.300 ( 0.000 -11.388 -9.374) 14.750 4.634 ( 0.000 3.489 12.381) 12.863 5.047 ( 0.000 -8.992 20.483) 22.370 5.471 ( 0.000 22.813 5.328) 23.427 5.581 ( 0.000 3.459 20.280) 20.573 5.611 ( 0.000 8.253 10.389) 13.268 5.839 ( 0.000 17.687 4.381) 18.222 6.356 ( 0.000 -1.197 -16.641) 16.684 6.582 ( 0.000 -4.458 -20.400) 20.882 6.608 ( 0.000 -7.489 -7.858) 10.855 6.750 ( 0.000 -2.777 -9.609) 10.002 6.834 ( 0.000 -10.016 -1.094) 10.076 7.043 ( 0.000 -18.099 -4.269) 18.596 7.309 ( 0.000 -2.374 -7.322) 7.698 7.310 ( 0.000 -2.893 -5.390) 6.117 7.809 ( 0.000 -0.467 -2.841) 2.879 7.964 ( 0.000 -5.953 -4.491) 7.458 8.720 ( 0.000 10.626 1.605) 10.746 8.741 ( 0.000 6.632 -0.923) 6.696 9.012 ( 0.000 4.631 6.707) 8.150 9.180 ( 0.000 0.484 -0.011) 0.485 10.364 ( 0.000 13.861 5.446) 14.893 10.746 ( 0.000 -0.435 -5.852) 5.868 11.542 ( 0.000 0.270 3.331) 3.342 11.759 ( 0.000 -7.323 -3.631) 8.174 12.584 ( 0.000 1.979 14.299) 14.436 12.598 ( 0.000 2.429 12.381) 12.617 13.578 ( 0.000 9.764 -12.901) 16.179 13.819 ( 0.000 2.869 3.992) 4.916 13.829 ( 0.000 2.937 -17.423) 17.669 14.042 ( 0.000 -5.423 1.110) 5.536 14.291 ( 0.000 6.192 6.347) 8.866 14.581 ( 0.000 -0.062 -5.821) 5.821 14.887 ( 0.000 4.719 1.660) 5.002 15.019 ( 0.000 1.235 -1.644) 2.056 15.374 ( 0.000 -13.194 4.434) 13.920 15.406 ( 0.000 -14.408 4.521) 15.101 15.825 ( 0.000 1.393 -0.812) 1.612 15.860 ( 0.000 1.732 -4.356) 4.688 16.288 ( 0.000 -2.158 4.519) 5.008 16.329 ( 0.000 -3.197 2.329) 3.955 16.445 ( 0.000 0.439 1.443) 1.508 16.510 ( 0.000 1.174 0.149) 1.184 16.582 ( 0.000 -8.026 0.662) 8.053 16.605 ( 0.000 -2.438 -3.682) 4.416 17.514 ( 0.000 7.535 0.384) 7.545 17.755 ( 0.000 8.152 -9.626) 12.614 17.857 ( 0.000 -6.363 0.165) 6.365 17.978 ( 0.000 -2.107 -4.700) 5.151 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -9.113 10.980 20.620) 25.076 2.340 ( -3.887 20.413 13.003) 24.513 2.487 ( -2.743 -3.665 7.950) 9.174 2.971 ( -1.042 -3.371 6.307) 7.227 3.095 ( -2.019 3.006 -8.680) 9.405 3.286 ( -1.846 -7.386 3.147) 8.238 3.423 ( -4.157 -0.298 -2.118) 4.675 3.437 ( 7.541 0.533 -6.118) 9.726 3.570 ( 3.002 1.196 -4.444) 5.494 3.821 ( -2.264 -1.138 -6.875) 7.327 3.908 ( 1.554 1.645 -4.429) 4.974 4.269 ( -3.384 -10.146 -8.503) 13.664 4.663 ( 2.753 4.555 14.229) 15.192 4.891 ( -12.403 -2.142 17.695) 21.715 5.299 ( -10.403 18.010 8.848) 22.602 5.685 ( 1.908 24.337 1.055) 24.435 5.769 ( 15.118 -4.713 18.682) 24.490 5.896 ( 4.909 11.850 8.641) 15.466 6.314 ( -4.617 -1.838 -18.750) 19.397 6.429 ( -11.150 -2.681 -19.807) 22.887 6.617 ( -2.231 -8.499 -5.079) 10.149 6.726 ( -1.908 -2.368 -7.816) 8.387 6.882 ( 3.891 -10.687 0.670) 11.393 7.038 ( 0.340 -17.065 -4.772) 17.723 7.270 ( -4.398 -1.266 -5.985) 7.534 7.308 ( -0.371 -3.660 -6.089) 7.114 7.722 ( -8.288 -1.083 -2.103) 8.619 7.887 ( -7.897 -6.690 -4.930) 11.464 8.737 ( 2.268 9.849 2.312) 10.368 8.773 ( 3.669 10.956 0.520) 11.566 9.101 ( 7.647 1.980 5.702) 9.742 9.249 ( 6.623 -1.055 0.292) 6.713 10.390 ( 2.574 14.867 5.133) 15.937 10.787 ( 3.785 0.661 -6.321) 7.397 11.513 ( -2.768 -1.283 3.316) 4.506 11.728 ( -3.093 -7.968 -3.557) 9.258 12.558 ( -2.046 3.564 12.396) 13.059 12.643 ( 4.541 1.092 10.589) 11.574 13.557 ( -1.957 7.690 -13.041) 15.265 13.680 ( -12.187 2.781 -17.462) 21.475 13.898 ( 6.546 3.580 6.140) 9.662 14.076 ( 1.598 -1.119 2.534) 3.198 14.330 ( 3.656 1.997 4.073) 5.826 14.574 ( -1.026 -2.539 -5.963) 6.562 14.906 ( 1.766 6.018 2.063) 6.603 15.010 ( -0.481 3.250 -0.648) 3.349 15.401 ( 2.615 -12.775 5.661) 14.216 15.439 ( 3.491 -14.266 4.852) 15.467 15.851 ( 2.370 1.992 -0.091) 3.098 15.903 ( 4.388 1.410 -3.325) 5.683 16.232 ( -3.880 -1.329 3.198) 5.201 16.339 ( -0.976 -5.179 2.019) 5.644 16.435 ( -0.653 0.191 1.510) 1.656 16.483 ( -3.811 -2.511 0.474) 4.589 16.537 ( 1.302 1.666 0.033) 2.115 16.704 ( 5.051 -7.090 -2.648) 9.099 17.515 ( 0.177 7.530 0.395) 7.543 17.735 ( -2.002 8.130 -8.555) 11.970 17.858 ( 0.030 -6.419 0.161) 6.421 17.969 ( -0.970 -2.454 -4.364) 5.099 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -4.925 11.257 17.707) 21.553 2.335 ( -0.524 3.323 9.026) 9.633 2.494 ( 5.126 5.716 5.249) 9.300 2.933 ( -3.217 -0.334 4.088) 5.213 3.055 ( -1.963 -6.320 -4.277) 7.879 3.155 ( -8.741 -5.585 -2.856) 10.759 3.310 ( -6.949 0.766 -3.374) 7.763 3.491 ( -5.422 -3.826 -5.296) 8.490 3.667 ( 6.779 3.867 -8.106) 11.253 3.835 ( 3.717 1.210 -6.155) 7.292 3.943 ( 2.349 -2.530 -4.147) 5.395 4.180 ( -5.446 -6.617 -6.164) 10.556 4.667 ( -8.692 2.442 12.585) 15.488 4.682 ( -3.699 0.915 9.971) 10.674 5.212 ( 3.319 24.924 10.930) 27.417 5.624 ( -8.332 27.436 -4.922) 29.093 5.968 ( 3.670 8.412 3.255) 9.738 6.001 ( -6.493 -4.045 -10.062) 12.640 6.195 ( 6.621 -7.396 5.297) 11.251 6.290 ( -3.868 3.360 -11.849) 12.909 6.536 ( -5.165 -4.622 -2.785) 7.470 6.700 ( -0.261 -2.976 -2.397) 3.831 6.948 ( 2.529 -12.399 1.189) 12.710 7.084 ( 4.181 -16.098 -4.708) 17.286 7.148 ( -7.479 0.632 -4.623) 8.815 7.278 ( -3.373 -5.448 -4.166) 7.643 7.526 ( -11.549 -2.401 -0.745) 11.819 7.692 ( -11.524 -6.899 -4.495) 14.164 8.814 ( 5.330 11.826 3.175) 13.354 8.867 ( 5.644 12.657 1.516) 13.941 9.258 ( 8.263 -1.177 5.571) 10.034 9.396 ( 7.761 -4.395 1.726) 9.085 10.454 ( 4.017 16.961 3.988) 17.881 10.858 ( 2.744 4.801 -6.956) 8.886 11.452 ( -3.009 -6.225 2.999) 7.537 11.654 ( -4.354 -9.614 -3.457) 11.106 12.536 ( 0.398 6.561 8.583) 10.811 12.761 ( 7.529 -1.830 6.198) 9.922 13.421 ( -13.684 6.130 -15.683) 21.698 13.507 ( -4.124 3.979 -13.965) 15.096 13.995 ( 3.007 2.890 6.927) 8.085 14.133 ( 4.836 1.184 5.022) 7.072 14.394 ( 2.370 -2.797 1.575) 3.991 14.543 ( -1.914 -5.130 -4.497) 7.085 14.936 ( 1.292 8.316 3.573) 9.143 15.023 ( 1.789 6.947 1.497) 7.328 15.466 ( 4.170 -12.380 6.616) 14.644 15.534 ( 5.980 -14.423 5.516) 16.559 15.899 ( 2.216 3.020 2.968) 4.779 16.009 ( 5.967 1.545 -0.807) 6.216 16.168 ( -2.485 -2.261 2.603) 4.250 16.292 ( -2.755 -5.047 -0.215) 5.754 16.414 ( -1.581 0.350 1.379) 2.127 16.446 ( -0.160 -0.558 1.483) 1.593 16.565 ( 1.230 1.480 0.726) 2.057 16.775 ( 2.178 -8.155 -3.229) 9.038 17.520 ( 0.296 7.523 0.324) 7.536 17.685 ( -3.006 8.004 -6.071) 10.486 17.858 ( 0.017 -6.453 0.048) 6.453 17.943 ( -1.679 -3.328 -3.371) 5.026 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 10.223 7.666 7.203) 14.668 2.348 ( 2.986 -3.763 3.757) 6.099 2.642 ( 8.420 5.272 3.366) 10.489 2.837 ( -6.799 -0.292 0.902) 6.865 2.924 ( -10.565 -5.191 -6.545) 13.469 3.089 ( 0.832 -6.216 -2.833) 6.881 3.167 ( -7.513 0.436 -1.904) 7.763 3.342 ( -8.476 -5.825 -5.288) 11.564 3.773 ( 4.075 6.477 -3.901) 8.590 3.873 ( 0.038 3.142 -3.352) 4.595 4.010 ( 3.055 -6.490 -4.085) 8.255 4.080 ( -4.553 -3.154 -3.395) 6.496 4.565 ( 0.149 3.003 2.145) 3.693 4.615 ( -0.619 0.185 0.380) 0.750 5.282 ( -7.533 18.957 -4.601) 20.911 5.458 ( -4.123 19.397 -3.891) 20.208 5.659 ( -14.980 5.662 -12.473) 20.298 6.062 ( 1.328 14.495 -3.387) 14.945 6.221 ( -0.388 10.740 2.117) 10.953 6.445 ( 2.007 -0.945 2.511) 3.351 6.470 ( 7.728 -7.331 5.495) 11.986 6.735 ( 3.908 -6.098 2.885) 7.796 6.941 ( -3.186 -3.475 -7.416) 8.788 7.042 ( -3.040 -9.433 1.208) 9.984 7.161 ( -5.538 -7.156 -3.833) 9.827 7.173 ( 1.093 -10.967 -1.877) 11.180 7.321 ( -8.404 -7.166 2.822) 11.400 7.481 ( -10.193 -7.808 -2.541) 13.088 8.919 ( 5.249 13.355 3.418) 14.751 8.967 ( 4.334 14.084 2.224) 14.903 9.403 ( 6.812 -4.350 6.017) 10.076 9.516 ( 4.428 -7.273 3.901) 9.366 10.540 ( 5.076 18.393 1.813) 19.166 10.862 ( -2.628 11.424 -6.126) 13.226 11.420 ( -0.139 -12.810 1.485) 12.896 11.572 ( -4.079 -11.977 -3.280) 13.071 12.587 ( 5.061 9.054 4.411) 11.272 12.915 ( 8.071 -3.359 0.857) 8.784 13.167 ( -12.388 8.212 -11.485) 18.783 13.403 ( -6.752 0.726 -12.679) 14.383 14.054 ( 3.772 3.478 6.262) 8.096 14.206 ( 1.839 0.361 4.947) 5.290 14.419 ( 0.762 -5.329 -0.067) 5.384 14.510 ( -1.606 -5.881 -1.424) 6.260 14.970 ( 2.427 10.935 5.285) 12.386 15.055 ( 1.069 9.089 2.741) 9.554 15.553 ( 4.614 -12.762 7.124) 15.327 15.637 ( 3.925 -15.268 6.055) 16.887 15.935 ( 2.120 3.436 5.156) 6.549 16.088 ( 1.011 3.879 1.444) 4.261 16.147 ( 0.738 -5.567 4.353) 7.105 16.261 ( -0.892 -3.078 0.571) 3.255 16.398 ( 0.357 1.674 1.465) 2.253 16.458 ( 1.365 1.079 -0.097) 1.742 16.583 ( 0.960 -0.730 0.640) 1.366 16.781 ( -1.551 -7.940 -3.329) 8.748 17.528 ( 0.586 7.518 0.027) 7.541 17.627 ( -2.916 7.796 -3.482) 9.023 17.859 ( 0.113 -6.348 -0.207) 6.352 17.909 ( -1.723 -4.394 -2.128) 5.177 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 16.188 2.739 -1.020) 16.450 2.450 ( 6.314 -2.146 1.413) 6.817 2.632 ( -10.660 -3.329 -7.694) 13.561 2.665 ( -10.073 -3.222 -3.903) 11.273 2.885 ( 7.720 3.583 1.259) 8.603 3.031 ( -6.796 1.464 -0.342) 6.960 3.122 ( 2.271 -7.982 -2.773) 8.750 3.199 ( -6.075 -7.064 -4.008) 10.143 3.829 ( 2.144 6.149 1.324) 6.645 3.860 ( -1.173 3.769 0.303) 3.959 4.008 ( -1.380 -2.336 -1.510) 3.104 4.019 ( -2.262 -2.502 -0.830) 3.473 4.705 ( 12.213 3.080 -9.090) 15.533 4.736 ( 14.704 0.288 -10.603) 18.130 4.994 ( -16.957 8.398 -13.842) 23.445 5.121 ( -22.873 -0.746 -17.514) 28.818 5.751 ( 11.914 27.383 7.963) 30.906 5.959 ( -9.342 23.750 1.359) 25.557 6.313 ( 6.320 8.510 3.543) 11.176 6.401 ( -2.991 4.922 -1.333) 5.912 6.643 ( 7.387 -0.640 1.206) 7.512 6.758 ( -3.369 -1.451 0.142) 3.671 6.942 ( -0.660 -10.082 -3.801) 10.795 6.986 ( -5.936 -7.415 -3.793) 10.228 7.031 ( 5.763 -6.726 3.777) 9.629 7.193 ( -5.897 -7.363 3.393) 10.025 7.248 ( 2.102 -17.505 1.589) 17.702 7.316 ( -6.006 -11.553 0.282) 13.024 8.999 ( 2.811 14.578 3.259) 15.200 9.018 ( 0.896 14.952 2.810) 15.240 9.510 ( 4.215 -7.100 6.221) 10.338 9.556 ( -0.303 -8.285 5.601) 10.005 10.649 ( 6.286 18.044 -0.990) 19.133 10.772 ( -6.158 15.911 -3.761) 17.471 11.443 ( 2.340 -15.490 -0.838) 15.689 11.500 ( -3.451 -14.444 -2.521) 15.063 12.723 ( 8.889 10.423 -0.279) 13.701 12.913 ( -10.272 10.033 -5.426) 15.350 13.103 ( 7.595 -3.544 -4.676) 9.598 13.259 ( -8.128 -1.981 -9.113) 12.370 14.134 ( 4.248 2.650 5.064) 7.121 14.200 ( -2.225 1.317 4.510) 5.199 14.440 ( 1.540 -6.277 -0.009) 6.463 14.475 ( -2.022 -6.349 -0.124) 6.664 15.020 ( 2.533 11.683 5.184) 13.030 15.056 ( -0.996 10.849 4.007) 11.609 15.629 ( 3.108 -14.331 6.937) 16.222 15.667 ( -0.610 -15.412 6.442) 16.715 15.994 ( 3.948 3.518 5.205) 7.420 16.066 ( -2.859 3.682 3.865) 6.056 16.178 ( 2.368 -4.347 4.627) 6.776 16.230 ( -2.536 -3.231 3.295) 5.265 16.431 ( 2.662 3.097 1.194) 4.255 16.471 ( -0.849 3.746 0.502) 3.873 16.628 ( 4.227 -4.893 -1.461) 6.629 16.720 ( -4.559 -6.781 -2.825) 8.645 17.545 ( 1.282 7.521 -0.561) 7.650 17.578 ( -2.188 7.601 -1.624) 8.075 17.864 ( 0.526 -6.010 -0.575) 6.061 17.881 ( -1.187 -5.352 -1.159) 5.603 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 -6.030 14.412) 15.622 2.439 ( 0.000 6.030 14.412) 15.622 2.798 ( 0.000 -12.759 16.051) 20.505 2.798 ( 0.000 12.759 16.051) 20.505 3.207 ( 0.000 -1.341 -7.470) 7.590 3.207 ( 0.000 1.341 -7.470) 7.590 3.362 ( 0.000 -1.395 -5.334) 5.513 3.362 ( 0.000 1.395 -5.334) 5.513 3.700 ( 0.000 -9.522 -3.781) 10.245 3.700 ( 0.000 9.522 -3.781) 10.245 4.062 ( 0.000 -10.197 -9.685) 14.064 4.062 ( 0.000 10.197 -9.685) 14.064 4.814 ( 0.000 -11.344 20.041) 23.029 4.814 ( 0.000 11.344 20.041) 23.029 5.630 ( 0.000 -1.900 19.003) 19.097 5.630 ( 0.000 1.900 19.003) 19.097 5.969 ( 0.000 -18.174 4.321) 18.680 5.969 ( 0.000 18.174 4.321) 18.680 6.487 ( 0.000 -8.978 -17.873) 20.001 6.487 ( 0.000 8.978 -17.873) 20.001 6.565 ( 0.000 -16.399 -7.246) 17.929 6.565 ( 0.000 16.399 -7.246) 17.929 6.731 ( 0.000 -0.699 -7.536) 7.569 6.731 ( 0.000 0.700 -7.536) 7.569 7.280 ( 0.000 -0.152 -6.708) 6.709 7.280 ( 0.000 0.152 -6.708) 6.709 7.855 ( 0.000 -3.973 -4.500) 6.003 7.855 ( 0.000 3.973 -4.500) 6.003 8.829 ( 0.000 -0.580 2.462) 2.529 8.829 ( 0.000 0.580 2.462) 2.529 9.123 ( 0.000 -5.117 2.556) 5.720 9.123 ( 0.000 5.117 2.556) 5.720 10.635 ( 0.000 -9.836 -0.126) 9.837 10.635 ( 0.000 9.836 -0.126) 9.837 11.610 ( 0.000 -5.796 -1.518) 5.991 11.610 ( 0.000 5.796 -1.518) 5.991 12.617 ( 0.000 -0.684 13.892) 13.909 12.617 ( 0.000 0.684 13.892) 13.909 13.771 ( 0.000 -6.549 -14.716) 16.108 13.771 ( 0.000 6.549 -14.716) 16.108 13.929 ( 0.000 -4.941 2.906) 5.732 13.929 ( 0.000 4.941 2.906) 5.732 14.469 ( 0.000 -8.870 -3.431) 9.511 14.469 ( 0.000 8.870 -3.431) 9.511 15.079 ( 0.000 -10.177 5.643) 11.636 15.079 ( 0.000 10.177 5.643) 11.636 15.133 ( 0.000 -7.102 1.864) 7.342 15.133 ( 0.000 7.102 1.864) 7.342 15.867 ( 0.000 -1.372 -3.854) 4.091 15.867 ( 0.000 1.372 -3.854) 4.091 16.270 ( 0.000 -1.130 4.264) 4.411 16.270 ( 0.000 1.130 4.264) 4.411 16.469 ( 0.000 -2.172 1.412) 2.590 16.469 ( 0.000 2.172 1.412) 2.590 16.556 ( 0.000 -1.967 -1.481) 2.463 16.556 ( 0.000 1.967 -1.481) 2.463 17.688 ( 0.000 -8.200 0.392) 8.209 17.688 ( 0.000 8.200 0.392) 8.209 17.904 ( 0.000 -4.907 -7.973) 9.363 17.904 ( 0.000 4.907 -7.973) 9.363 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -7.954 -7.260 15.483) 18.860 2.359 ( -7.954 7.260 15.483) 18.860 2.748 ( -2.269 -15.846 10.875) 19.352 2.748 ( -2.269 15.846 10.875) 19.352 3.156 ( -4.698 -3.924 -3.446) 7.025 3.156 ( -4.698 3.924 -3.446) 7.025 3.438 ( 3.688 -1.084 -7.309) 8.258 3.438 ( 3.688 1.084 -7.309) 8.258 3.685 ( 0.003 -7.760 -4.568) 9.005 3.685 ( 0.003 7.760 -4.568) 9.005 4.057 ( -0.662 -9.309 -9.581) 13.375 4.057 ( -0.662 9.309 -9.581) 13.375 4.795 ( -2.894 -6.285 18.302) 19.566 4.795 ( -2.894 6.285 18.302) 19.566 5.611 ( 1.502 -10.030 17.297) 20.051 5.611 ( 1.502 10.030 17.297) 20.051 6.075 ( 8.255 -13.814 4.726) 16.772 6.075 ( 8.255 13.814 4.726) 16.772 6.335 ( -13.126 -8.852 -17.025) 23.249 6.335 ( -13.126 8.852 -17.025) 23.249 6.602 ( 2.217 -15.346 -7.984) 17.440 6.602 ( 2.217 15.346 -7.984) 17.440 6.734 ( 0.019 -3.410 -5.029) 6.076 6.734 ( 0.019 3.410 -5.029) 6.076 7.261 ( -2.236 -0.760 -6.350) 6.775 7.261 ( -2.236 0.760 -6.350) 6.775 7.767 ( -8.531 -4.291 -3.951) 10.334 7.767 ( -8.531 4.291 -3.951) 10.334 8.877 ( 4.835 -2.105 2.452) 5.816 8.877 ( 4.835 2.105 2.452) 5.816 9.173 ( 4.753 -4.946 2.877) 7.438 9.173 ( 4.753 4.946 2.877) 7.438 10.682 ( 4.535 -10.467 -0.457) 11.416 10.682 ( 4.535 10.467 -0.457) 11.416 11.566 ( -4.337 -6.026 -1.679) 7.611 11.566 ( -4.337 6.026 -1.679) 7.611 12.628 ( 1.304 -2.391 12.277) 12.576 12.628 ( 1.304 2.391 12.277) 12.576 13.682 ( -7.251 -3.023 -13.886) 15.954 13.682 ( -7.251 3.023 -13.886) 15.954 14.003 ( 5.573 -5.390 2.502) 8.147 14.003 ( 5.573 5.390 2.502) 8.147 14.446 ( -1.956 -7.715 -3.324) 8.626 14.446 ( -1.956 7.715 -3.324) 8.626 15.112 ( 2.839 -12.176 5.535) 13.673 15.112 ( 2.839 12.176 5.535) 13.673 15.157 ( 2.819 -10.162 3.368) 11.070 15.157 ( 2.819 10.162 3.368) 11.070 15.904 ( 3.571 -1.806 -2.886) 4.933 15.904 ( 3.571 1.806 -2.886) 4.933 16.240 ( -2.794 -2.738 3.342) 5.145 16.240 ( -2.794 2.738 3.342) 5.145 16.446 ( -1.404 -0.979 1.371) 2.193 16.446 ( -1.404 0.979 1.371) 2.193 16.593 ( 2.700 -3.584 -1.066) 4.612 16.593 ( 2.700 3.584 -1.066) 4.612 17.689 ( 0.121 -8.144 0.352) 8.153 17.689 ( 0.121 8.144 0.352) 8.153 17.886 ( -1.724 -5.210 -7.192) 9.047 17.886 ( -1.724 5.210 -7.192) 9.047 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( -5.236 -9.719 12.099) 16.379 2.210 ( -5.236 9.719 12.099) 16.379 2.749 ( 1.651 -13.086 6.570) 14.735 2.749 ( 1.651 13.086 6.570) 14.735 3.043 ( -6.717 -4.095 -2.117) 8.147 3.043 ( -6.717 4.095 -2.117) 8.147 3.394 ( -7.129 -5.203 -6.378) 10.889 3.394 ( -7.129 5.203 -6.378) 10.889 3.760 ( 6.754 -4.923 -6.878) 10.824 3.760 ( 6.754 4.923 -6.878) 10.824 4.033 ( -1.892 -7.083 -7.925) 10.796 4.033 ( -1.892 7.083 -7.925) 10.796 4.693 ( -6.771 -0.141 11.875) 13.670 4.693 ( -6.771 0.141 11.875) 13.670 5.722 ( 6.367 -19.313 11.140) 23.187 5.722 ( 6.367 19.313 11.140) 23.187 6.040 ( -13.357 -6.837 -13.431) 20.138 6.040 ( -13.357 6.837 -13.431) 20.138 6.236 ( 7.187 -13.090 3.262) 15.285 6.236 ( 7.187 13.090 3.262) 15.285 6.616 ( -1.223 -16.849 -3.965) 17.353 6.616 ( -1.223 16.849 -3.965) 17.353 6.753 ( 2.427 -6.050 -2.909) 7.138 6.753 ( 2.427 6.050 -2.909) 7.138 7.187 ( -5.439 -2.906 -4.885) 7.867 7.187 ( -5.439 2.906 -4.885) 7.867 7.565 ( -11.832 -4.535 -2.998) 13.022 7.565 ( -11.832 4.535 -2.998) 13.022 8.998 ( 7.409 -3.079 2.854) 8.516 8.998 ( 7.409 3.079 2.854) 8.516 9.275 ( 5.148 -4.996 3.556) 8.007 9.275 ( 5.148 4.996 3.556) 8.007 10.790 ( 6.374 -11.783 -1.075) 13.440 10.790 ( 6.374 11.783 -1.075) 13.440 11.456 ( -6.867 -6.948 -2.221) 10.018 11.456 ( -6.867 6.948 -2.221) 10.018 12.676 ( 3.960 -5.801 8.556) 11.069 12.676 ( 3.960 5.801 8.556) 11.069 13.523 ( -9.276 -2.556 -13.863) 16.874 13.523 ( -9.276 2.556 -13.863) 16.874 14.104 ( 4.733 -5.081 3.861) 7.945 14.104 ( 4.733 5.081 3.861) 7.945 14.409 ( -1.820 -5.331 -2.694) 6.244 14.409 ( -1.820 5.331 -2.694) 6.244 15.165 ( 2.782 -10.476 5.544) 12.175 15.165 ( 2.782 10.476 5.544) 12.175 15.242 ( 5.437 -9.365 5.531) 12.159 15.242 ( 5.437 9.365 5.531) 12.159 15.982 ( 3.805 -3.863 1.020) 5.518 15.982 ( 3.805 3.863 1.020) 5.518 16.188 ( -1.844 -3.940 0.854) 4.434 16.188 ( -1.844 3.940 0.854) 4.434 16.428 ( -0.417 -0.856 1.728) 1.973 16.428 ( -0.417 0.856 1.728) 1.973 16.634 ( 1.292 -4.877 -1.035) 5.150 16.634 ( 1.292 4.877 -1.035) 5.150 17.692 ( 0.206 -7.987 0.196) 7.992 17.692 ( 0.206 7.987 0.196) 7.992 17.843 ( -2.725 -5.837 -5.307) 8.347 17.843 ( -2.725 5.837 -5.307) 8.347 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 5.229 -8.138 4.465) 10.654 2.210 ( 5.229 8.138 4.465) 10.654 2.758 ( -3.119 -5.806 2.616) 7.091 2.758 ( -3.119 5.806 2.616) 7.091 2.939 ( -2.154 -5.756 -2.091) 6.492 2.939 ( -2.154 5.756 -2.091) 6.492 3.233 ( -8.778 -4.276 -5.548) 11.231 3.233 ( -8.778 4.276 -5.548) 11.231 3.885 ( 5.200 -4.649 -4.447) 8.272 3.885 ( 5.200 4.649 -4.447) 8.272 3.989 ( -2.376 -5.320 -4.353) 7.273 3.989 ( -2.376 5.320 -4.353) 7.273 4.607 ( -0.126 -1.011 1.681) 1.965 4.607 ( -0.126 1.011 1.681) 1.965 5.525 ( -21.543 -4.627 -17.735) 28.285 5.525 ( -21.543 4.627 -17.735) 28.285 6.093 ( 12.512 -23.068 10.904) 28.418 6.093 ( 12.512 23.068 10.904) 28.418 6.375 ( 7.509 -5.977 2.812) 10.000 6.375 ( 7.509 5.977 2.812) 10.000 6.577 ( -2.238 -19.074 0.416) 19.209 6.577 ( -2.238 19.074 0.416) 19.209 6.796 ( 0.932 -8.585 -2.388) 8.960 6.796 ( 0.932 8.585 -2.388) 8.960 7.075 ( -5.228 -3.451 -3.107) 6.993 7.075 ( -5.228 3.451 -3.107) 6.993 7.337 ( -11.730 -5.098 -1.745) 12.909 7.337 ( -11.730 5.098 -1.745) 12.909 9.145 ( 7.574 -3.814 3.549) 9.193 9.145 ( 7.574 3.814 3.549) 9.193 9.348 ( 2.123 -5.153 4.147) 6.947 9.348 ( 2.123 5.153 4.147) 6.947 10.913 ( 6.424 -12.627 -1.649) 14.263 10.913 ( 6.424 12.627 -1.649) 14.263 11.316 ( -7.640 -8.724 -2.791) 11.928 11.316 ( -7.640 8.724 -2.791) 11.928 12.783 ( 7.214 -8.364 4.080) 11.774 12.783 ( 7.214 8.364 4.080) 11.774 13.335 ( -10.302 -6.476 -11.073) 16.453 13.335 ( -10.302 6.476 -11.073) 16.453 14.185 ( 3.966 -6.204 3.497) 8.152 14.185 ( 3.966 6.204 3.497) 8.152 14.373 ( -2.099 -4.694 -1.482) 5.351 14.373 ( -2.099 4.694 -1.482) 5.351 15.223 ( 3.380 -8.042 5.765) 10.456 15.223 ( 3.380 8.042 5.765) 10.456 15.332 ( 3.181 -7.757 6.498) 10.607 15.332 ( 3.181 7.757 6.498) 10.607 16.029 ( 1.769 -5.072 4.806) 7.208 16.029 ( 1.769 5.072 4.806) 7.208 16.180 ( 0.063 -4.235 0.729) 4.298 16.180 ( 0.063 4.235 0.729) 4.298 16.440 ( 2.096 -2.028 0.810) 3.027 16.440 ( 2.096 2.028 0.810) 3.027 16.636 ( -1.165 -5.180 -0.992) 5.401 16.636 ( -1.165 5.180 -0.992) 5.401 17.698 ( 0.464 -7.739 -0.135) 7.754 17.698 ( 0.464 7.739 -0.135) 7.754 17.789 ( -2.743 -6.437 -3.251) 7.715 17.789 ( -2.743 6.437 -3.251) 7.715 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 11.574 -4.086 -1.529) 12.369 2.381 ( 11.574 4.086 -1.529) 12.369 2.607 ( -11.085 -1.366 -2.308) 11.405 2.607 ( -11.085 1.366 -2.308) 11.405 2.976 ( 4.418 -5.322 -1.365) 7.050 2.976 ( 4.418 5.322 -1.365) 7.050 3.083 ( -6.748 -3.678 -3.286) 8.358 3.083 ( -6.748 3.678 -3.286) 8.358 3.938 ( 0.888 -3.924 -0.535) 4.058 3.938 ( 0.888 3.924 -0.535) 4.058 3.953 ( -1.252 -4.098 -0.643) 4.333 3.953 ( -1.252 4.098 -0.643) 4.333 4.740 ( 13.940 -0.482 -10.016) 17.172 4.740 ( 13.940 0.482 -10.016) 17.172 5.095 ( -21.958 -2.098 -16.761) 27.704 5.095 ( -21.958 2.098 -16.761) 27.704 6.310 ( 9.338 -19.172 6.254) 22.223 6.310 ( 9.338 19.172 6.254) 22.223 6.442 ( -3.658 -10.253 1.451) 10.982 6.442 ( -3.658 10.253 1.451) 10.982 6.611 ( 7.995 -10.926 4.713) 14.335 6.611 ( 7.995 10.926 4.713) 14.335 6.757 ( -5.362 -7.591 -0.021) 9.294 6.757 ( -5.362 7.591 -0.021) 9.294 7.034 ( 1.566 -0.504 -2.139) 2.698 7.034 ( 1.566 0.504 -2.139) 2.698 7.135 ( -8.721 -4.063 -1.085) 9.682 7.135 ( -8.721 4.063 -1.085) 9.682 9.273 ( 5.621 -4.489 4.120) 8.289 9.273 ( 5.621 4.489 4.120) 8.289 9.349 ( -2.057 -4.991 4.353) 6.934 9.349 ( -2.057 4.991 4.353) 6.934 11.037 ( 6.715 -12.250 -2.287) 14.156 11.037 ( 6.715 12.250 -2.287) 14.156 11.171 ( -7.382 -10.761 -2.813) 13.350 11.171 ( -7.382 10.761 -2.813) 13.350 12.944 ( 9.506 -9.189 -0.844) 13.248 12.944 ( 9.506 9.189 -0.844) 13.248 13.136 ( -10.420 -8.528 -6.156) 14.806 13.136 ( -10.420 8.528 -6.156) 14.806 14.259 ( 3.725 -5.717 1.849) 7.070 14.259 ( 3.725 5.717 1.849) 7.070 14.324 ( -3.070 -4.982 0.065) 5.852 14.324 ( -3.070 4.982 0.065) 5.852 15.292 ( 3.609 -7.155 5.995) 10.008 15.292 ( 3.609 7.155 5.995) 10.008 15.346 ( -1.527 -7.168 6.447) 9.761 15.346 ( -1.527 7.168 6.447) 9.761 16.081 ( 3.693 -4.296 4.986) 7.547 16.081 ( 3.693 4.296 4.986) 7.547 16.152 ( -3.107 -3.887 3.759) 6.237 16.152 ( -3.107 3.887 3.759) 6.237 16.508 ( 4.508 -3.384 -0.380) 5.649 16.508 ( 4.508 3.384 -0.380) 5.649 16.590 ( -3.579 -4.547 -0.757) 5.836 16.590 ( -3.579 4.547 -0.757) 5.836 17.713 ( 1.123 -7.393 -0.711) 7.511 17.713 ( 1.123 7.393 -0.711) 7.511 17.743 ( -2.038 -6.950 -1.685) 7.436 17.743 ( -2.038 6.950 -1.685) 7.436 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.000 0.000 23.835) 23.835 2.365 ( 0.000 0.000 -23.744) 23.744 2.524 ( 0.000 0.000 14.450) 14.450 2.762 ( 0.000 0.000 15.377) 15.377 2.780 ( 0.000 0.000 -11.259) 11.259 3.145 ( 0.000 0.000 -17.768) 17.768 3.445 ( 0.000 0.000 10.314) 10.314 3.662 ( 0.000 0.000 -9.836) 9.836 3.719 ( 0.000 0.000 3.763) 3.763 3.730 ( 0.000 0.000 2.086) 2.086 4.211 ( 0.000 0.000 17.128) 17.128 4.500 ( 0.000 0.000 -11.590) 11.590 4.684 ( 0.000 0.000 3.827) 3.827 4.781 ( 0.000 0.000 -4.255) 4.255 5.180 ( 0.000 0.000 19.975) 19.975 5.706 ( 0.000 0.000 21.009) 21.009 5.735 ( 0.000 0.000 -27.829) 27.829 5.918 ( 0.000 0.000 13.227) 13.227 6.161 ( 0.000 0.000 16.942) 16.942 6.321 ( 0.000 0.000 -13.838) 13.838 6.464 ( 0.000 0.000 -15.366) 15.366 6.537 ( 0.000 0.000 -17.223) 17.223 7.275 ( 0.000 0.000 -1.147) 1.147 7.288 ( 0.000 0.000 -2.836) 2.836 7.336 ( 0.000 0.000 5.314) 5.314 7.415 ( 0.000 0.000 -2.256) 2.256 8.083 ( 0.000 0.000 2.565) 2.565 8.209 ( 0.000 0.000 -9.308) 9.308 8.240 ( 0.000 0.000 2.400) 2.400 8.259 ( 0.000 0.000 0.686) 0.686 8.941 ( 0.000 0.000 3.458) 3.458 9.000 ( 0.000 0.000 -2.409) 2.409 10.267 ( 0.000 0.000 11.731) 11.731 10.490 ( 0.000 0.000 -9.537) 9.537 11.729 ( 0.000 0.000 6.115) 6.115 11.850 ( 0.000 0.000 -5.397) 5.397 12.743 ( 0.000 0.000 13.624) 13.624 12.892 ( 0.000 0.000 19.742) 19.742 13.047 ( 0.000 0.000 -14.792) 14.792 13.330 ( 0.000 0.000 -21.080) 21.080 13.864 ( 0.000 0.000 7.203) 7.203 14.036 ( 0.000 0.000 -8.799) 8.799 14.428 ( 0.000 0.000 11.958) 11.958 14.572 ( 0.000 0.000 2.506) 2.506 14.767 ( 0.000 0.000 -1.894) 1.894 14.884 ( 0.000 0.000 -8.801) 8.801 15.679 ( 0.000 0.000 1.703) 1.703 15.718 ( 0.000 0.000 -2.193) 2.193 15.834 ( 0.000 0.000 5.274) 5.274 15.927 ( 0.000 0.000 -3.526) 3.526 16.437 ( 0.000 0.000 3.227) 3.227 16.468 ( 0.000 0.000 0.916) 0.916 16.477 ( 0.000 0.000 0.089) 0.089 16.533 ( 0.000 0.000 -5.039) 5.039 16.565 ( 0.000 0.000 10.673) 10.673 16.810 ( 0.000 0.000 -11.576) 11.576 17.329 ( 0.000 0.000 0.114) 0.114 17.335 ( 0.000 0.000 -0.416) 0.416 18.003 ( 0.000 0.000 0.155) 0.155 18.008 ( 0.000 0.000 -0.198) 0.198 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 10.779 0.000 22.577) 25.018 2.385 ( -13.396 0.000 18.361) 22.729 2.445 ( 8.087 0.000 -22.401) 23.816 2.566 ( -7.447 0.000 -0.512) 7.464 2.950 ( 5.080 0.000 -0.566) 5.112 3.143 ( -1.125 0.000 -16.611) 16.649 3.422 ( -2.343 0.000 9.919) 10.192 3.632 ( -3.115 0.000 -9.530) 10.026 3.687 ( -2.262 0.000 4.686) 5.204 3.742 ( 1.134 0.000 -0.808) 1.392 4.274 ( 6.111 0.000 14.578) 15.807 4.504 ( 0.138 0.000 -9.066) 9.068 4.626 ( -5.812 0.000 3.413) 6.740 4.721 ( -6.292 0.000 -4.559) 7.770 5.124 ( -5.219 0.000 22.430) 23.029 5.351 ( -22.705 0.000 25.242) 33.951 5.699 ( -3.827 0.000 -27.488) 27.753 5.885 ( -15.847 0.000 -23.039) 27.963 6.142 ( -1.805 0.000 14.523) 14.635 6.403 ( 17.291 0.000 14.805) 22.763 6.481 ( -5.274 0.000 -16.000) 16.847 6.694 ( 12.530 0.000 -10.622) 16.427 7.190 ( -8.355 0.000 -1.368) 8.467 7.216 ( -5.408 0.000 -4.210) 6.854 7.368 ( 3.084 0.000 4.978) 5.856 7.437 ( 1.916 0.000 -1.608) 2.501 7.984 ( -9.075 0.000 1.598) 9.215 8.079 ( -11.619 0.000 -7.202) 13.670 8.304 ( 5.966 0.000 1.835) 6.242 8.314 ( 5.207 0.000 0.967) 5.296 9.076 ( 11.839 0.000 2.534) 12.107 9.122 ( 11.730 0.000 -2.051) 11.908 10.274 ( 0.533 0.000 11.932) 11.944 10.501 ( 0.801 0.000 -9.642) 9.675 11.736 ( 0.834 0.000 5.755) 5.815 11.849 ( -0.034 0.000 -4.978) 4.978 12.770 ( -10.477 0.000 17.171) 20.115 12.771 ( 2.794 0.000 12.088) 12.406 13.054 ( 0.588 0.000 -14.313) 14.325 13.163 ( -14.202 0.000 -19.725) 24.306 14.010 ( 13.248 0.000 8.861) 15.938 14.197 ( 12.966 0.000 -8.637) 15.579 14.377 ( -3.924 0.000 12.392) 12.998 14.574 ( -0.848 0.000 -2.593) 2.728 14.761 ( -0.581 0.000 0.517) 0.778 14.872 ( -1.154 0.000 -6.437) 6.540 15.697 ( 1.989 0.000 1.881) 2.737 15.740 ( 2.365 0.000 -2.293) 3.293 15.882 ( 4.748 0.000 5.635) 7.368 15.977 ( 5.034 0.000 -3.330) 6.035 16.376 ( -4.238 0.000 5.011) 6.562 16.453 ( -1.510 0.000 1.094) 1.865 16.467 ( -1.184 0.000 -0.143) 1.193 16.485 ( -4.216 0.000 -5.421) 6.868 16.623 ( 4.180 0.000 9.443) 10.327 16.850 ( 3.081 0.000 -11.485) 11.892 17.332 ( 0.249 0.000 0.349) 0.429 17.341 ( 0.592 0.000 -0.548) 0.807 18.002 ( -0.172 0.000 0.197) 0.262 18.007 ( -0.104 0.000 -0.239) 0.261 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -8.597 0.000 19.551) 21.358 2.244 ( 17.217 0.000 19.487) 26.003 2.443 ( -5.487 0.000 -7.390) 9.204 2.651 ( 12.788 0.000 -18.772) 22.714 2.973 ( -2.636 0.000 -1.334) 2.954 3.052 ( -8.490 0.000 -10.477) 13.485 3.357 ( -4.392 0.000 8.725) 9.768 3.546 ( -5.815 0.000 -8.719) 10.480 3.664 ( 0.322 0.000 5.962) 5.971 3.788 ( 3.452 0.000 -5.125) 6.179 4.407 ( 6.687 0.000 5.971) 8.965 4.475 ( -9.723 0.000 2.076) 9.942 4.497 ( -0.483 0.000 -3.306) 3.341 4.548 ( -11.355 0.000 -4.351) 12.160 4.966 ( -16.322 0.000 24.691) 29.598 5.012 ( -5.830 0.000 24.756) 25.433 5.533 ( -18.989 0.000 -28.231) 34.023 5.586 ( -8.144 0.000 -26.730) 27.943 6.106 ( -1.331 0.000 11.514) 11.590 6.371 ( -5.372 0.000 -12.789) 13.871 6.673 ( 3.885 0.000 10.356) 11.061 6.819 ( 1.042 0.000 -3.355) 3.513 7.023 ( -4.376 0.000 4.724) 6.440 7.200 ( 5.106 0.000 -9.429) 10.723 7.422 ( 0.521 0.000 3.554) 3.592 7.465 ( 0.330 0.000 -0.141) 0.359 7.803 ( -8.064 0.000 -0.203) 8.066 7.840 ( -11.354 0.000 -4.000) 12.038 8.429 ( 6.294 0.000 1.412) 6.450 8.433 ( 6.743 0.000 0.997) 6.816 9.327 ( 13.766 0.000 3.666) 14.246 9.393 ( 15.346 0.000 -2.621) 15.568 10.276 ( -0.720 0.000 11.754) 11.776 10.500 ( -1.483 0.000 -9.348) 9.464 11.766 ( 2.385 0.000 4.562) 5.147 11.852 ( 0.516 0.000 -3.544) 3.582 12.570 ( -9.277 0.000 12.722) 15.745 12.842 ( 4.328 0.000 7.901) 9.009 12.881 ( -14.290 0.000 -16.482) 21.814 13.062 ( 0.100 0.000 -12.531) 12.531 14.282 ( 13.674 0.000 8.391) 16.044 14.319 ( -1.568 0.000 12.064) 12.165 14.432 ( 10.507 0.000 -5.716) 11.962 14.539 ( -1.935 0.000 -7.443) 7.691 14.737 ( -2.209 0.000 3.916) 4.496 14.842 ( -2.011 0.000 -4.623) 5.041 15.758 ( 4.459 0.000 2.588) 5.155 15.812 ( 5.189 0.000 -2.520) 5.768 15.991 ( 5.826 0.000 6.686) 8.868 16.098 ( 6.541 0.000 -2.936) 7.169 16.319 ( -0.937 0.000 4.701) 4.793 16.409 ( -3.024 0.000 -3.684) 4.766 16.414 ( -2.579 0.000 1.393) 2.931 16.433 ( -2.240 0.000 -0.451) 2.285 16.688 ( 2.382 0.000 8.066) 8.410 16.892 ( 0.885 0.000 -10.802) 10.839 17.338 ( 0.346 0.000 0.711) 0.791 17.353 ( 0.581 0.000 -0.721) 0.926 17.998 ( -0.226 0.000 0.253) 0.339 18.004 ( -0.199 0.000 -0.303) 0.363 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( 3.213 0.000 13.210) 13.595 2.379 ( -0.793 0.000 -11.487) 11.514 2.591 ( 18.340 0.000 15.439) 23.973 2.823 ( -11.878 0.000 -1.373) 11.957 2.881 ( -9.107 0.000 -5.104) 10.440 2.903 ( 12.886 0.000 -13.526) 18.682 3.260 ( -5.741 0.000 6.968) 9.028 3.418 ( -7.270 0.000 -7.517) 10.458 3.703 ( 3.469 0.000 7.039) 7.847 3.841 ( 1.322 0.000 -5.411) 5.570 4.273 ( -10.648 0.000 0.689) 10.670 4.315 ( -12.186 0.000 -2.969) 12.543 4.465 ( 0.941 0.000 2.825) 2.978 4.548 ( 4.429 0.000 -4.840) 6.561 4.759 ( -5.197 0.000 16.377) 17.182 4.921 ( -3.046 0.000 21.645) 21.858 5.192 ( -16.364 0.000 -23.738) 28.832 5.388 ( -12.348 0.000 -22.277) 25.471 6.116 ( 2.625 0.000 8.519) 8.914 6.295 ( -2.598 0.000 -8.432) 8.823 6.580 ( -7.451 0.000 3.629) 8.288 6.688 ( -10.420 0.000 -6.483) 12.272 7.156 ( 10.994 0.000 9.750) 14.695 7.322 ( 5.620 0.000 -5.825) 8.094 7.330 ( -8.080 0.000 2.124) 8.354 7.397 ( -8.375 0.000 -3.402) 9.040 7.715 ( 0.204 0.000 2.016) 2.027 7.749 ( 0.176 0.000 -0.889) 0.906 8.537 ( 4.732 0.000 1.471) 4.955 8.545 ( 4.698 0.000 0.704) 4.750 9.581 ( 12.405 0.000 5.488) 13.565 9.670 ( 12.974 0.000 -2.637) 13.239 10.242 ( -2.574 0.000 9.722) 10.057 10.434 ( -5.380 0.000 -8.003) 9.643 11.822 ( 3.210 0.000 2.839) 4.285 11.869 ( 1.171 0.000 -1.531) 1.928 12.439 ( -4.251 0.000 7.471) 8.596 12.641 ( -10.637 0.000 -11.518) 15.678 12.921 ( 3.623 0.000 2.613) 4.467 13.051 ( -1.330 0.000 -9.326) 9.421 14.332 ( 3.056 0.000 10.683) 11.111 14.497 ( 8.526 0.000 5.827) 10.327 14.530 ( 1.376 0.000 -7.421) 7.548 14.580 ( 5.079 0.000 -2.128) 5.507 14.670 ( -4.798 0.000 5.754) 7.492 14.789 ( -3.726 0.000 -5.016) 6.248 15.866 ( 6.549 0.000 3.589) 7.468 15.928 ( 6.409 0.000 -2.122) 6.752 16.072 ( 2.387 0.000 6.428) 6.857 16.167 ( 0.030 0.000 -1.587) 1.587 16.356 ( -3.353 0.000 1.692) 3.756 16.370 ( 5.642 0.000 2.536) 6.186 16.382 ( -3.073 0.000 -0.763) 3.166 16.403 ( 3.047 0.000 -0.009) 3.047 16.713 ( 0.427 0.000 5.797) 5.812 16.876 ( -2.611 0.000 -8.971) 9.343 17.345 ( 0.383 0.000 0.786) 0.874 17.361 ( 0.156 0.000 -0.661) 0.679 17.994 ( -0.138 0.000 0.214) 0.254 18.000 ( -0.247 0.000 -0.298) 0.387 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 10.320 0.000 1.715) 10.462 2.388 ( -1.253 0.000 -12.161) 12.225 2.623 ( -5.691 0.000 3.691) 6.783 2.693 ( -9.414 0.000 -3.044) 9.894 2.910 ( 14.265 0.000 10.988) 18.006 3.095 ( 0.783 0.000 1.251) 1.476 3.156 ( 0.448 0.000 -2.984) 3.018 3.281 ( -7.027 0.000 -7.041) 9.948 3.775 ( 3.596 0.000 3.957) 5.347 3.831 ( -2.063 0.000 -1.144) 2.359 4.112 ( -4.850 0.000 -0.839) 4.922 4.126 ( -6.311 0.000 -1.939) 6.602 4.510 ( 3.657 0.000 3.867) 5.322 4.576 ( -2.000 0.000 -1.024) 2.247 4.760 ( 4.821 0.000 2.826) 5.588 4.922 ( -11.692 0.000 -12.066) 16.801 4.947 ( 6.580 0.000 4.821) 8.157 5.142 ( -12.610 0.000 -12.204) 17.549 6.190 ( 4.283 0.000 3.320) 5.419 6.255 ( -2.356 0.000 -2.844) 3.693 6.483 ( -1.826 0.000 -0.857) 2.017 6.523 ( -5.887 0.000 -4.502) 7.411 7.207 ( -3.146 0.000 -0.332) 3.164 7.238 ( -6.113 0.000 -2.976) 6.799 7.324 ( 6.066 0.000 4.854) 7.769 7.380 ( 0.153 0.000 -0.456) 0.481 7.750 ( 1.861 0.000 2.202) 2.883 7.764 ( 0.396 0.000 0.884) 0.969 8.601 ( 1.883 0.000 1.219) 2.243 8.605 ( 1.517 0.000 0.866) 1.746 9.783 ( 8.167 0.000 6.140) 10.218 9.843 ( 3.424 0.000 1.496) 3.736 10.213 ( 1.256 0.000 2.731) 3.006 10.308 ( -7.143 0.000 -5.183) 8.825 11.874 ( 1.848 0.000 1.379) 2.306 11.887 ( 0.357 0.000 0.145) 0.385 12.410 ( 1.161 0.000 1.344) 1.776 12.480 ( -6.113 0.000 -5.269) 8.070 12.976 ( 2.338 0.000 -2.028) 3.095 13.017 ( -2.022 0.000 -5.725) 6.071 14.427 ( 6.400 0.000 9.108) 11.132 14.554 ( -5.963 0.000 7.334) 9.452 14.597 ( 4.190 0.000 -6.382) 7.634 14.608 ( 3.353 0.000 3.041) 4.527 14.633 ( 0.655 0.000 0.632) 0.910 14.700 ( -5.479 0.000 -5.838) 8.006 15.987 ( 5.276 0.000 3.439) 6.298 16.022 ( 2.276 0.000 0.330) 2.299 16.103 ( 1.496 0.000 3.740) 4.028 16.138 ( -2.097 0.000 0.737) 2.223 16.302 ( -1.493 0.000 0.832) 1.710 16.321 ( -2.940 0.000 -0.844) 3.058 16.466 ( 3.812 0.000 3.740) 5.341 16.484 ( 2.671 0.000 2.822) 3.886 16.728 ( 2.079 0.000 0.170) 2.086 16.801 ( -4.731 0.000 -5.861) 7.532 17.352 ( 0.423 0.000 0.407) 0.587 17.359 ( -0.262 0.000 -0.215) 0.339 17.993 ( 0.039 0.000 0.044) 0.059 17.995 ( -0.196 0.000 -0.168) 0.258 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( 0.000 18.163 19.180) 26.415 2.508 ( 0.000 11.230 -18.785) 21.886 2.593 ( 0.000 6.074 12.440) 13.844 2.805 ( 0.000 3.972 14.750) 15.275 2.823 ( 0.000 3.822 -10.045) 10.748 3.169 ( 0.000 1.869 -16.235) 16.342 3.479 ( 0.000 2.483 8.442) 8.800 3.583 ( 0.000 -7.191 -0.213) 7.194 3.617 ( 0.000 -8.811 2.690) 9.212 3.723 ( 0.000 0.540 -7.551) 7.570 4.087 ( 0.000 -9.607 11.854) 15.258 4.326 ( 0.000 -11.119 -11.006) 15.645 4.843 ( 0.000 12.204 14.889) 19.251 5.069 ( 0.000 21.101 -6.715) 22.143 5.253 ( 0.000 8.163 16.004) 17.965 5.661 ( 0.000 -4.144 22.119) 22.503 5.764 ( 0.000 2.718 -27.637) 27.770 5.931 ( 0.000 1.079 11.192) 11.244 6.148 ( 0.000 -1.048 17.490) 17.521 6.274 ( 0.000 -4.100 -12.927) 13.562 6.451 ( 0.000 -1.113 -15.082) 15.123 6.521 ( 0.000 -1.313 -16.506) 16.558 7.195 ( 0.000 -10.478 2.923) 10.878 7.230 ( 0.000 -5.793 -2.122) 6.169 7.276 ( 0.000 -3.202 -0.176) 3.207 7.324 ( 0.000 -6.467 -2.724) 7.017 7.919 ( 0.000 -8.298 2.565) 8.685 8.012 ( 0.000 -8.780 -5.647) 10.440 8.465 ( 0.000 13.648 1.539) 13.735 8.496 ( 0.000 12.282 -1.762) 12.407 9.017 ( 0.000 5.712 3.669) 6.789 9.074 ( 0.000 5.561 -2.080) 5.937 10.327 ( 0.000 5.501 10.330) 11.703 10.529 ( 0.000 3.499 -8.929) 9.590 11.693 ( 0.000 -3.187 5.480) 6.339 11.801 ( 0.000 -4.296 -4.882) 6.503 12.794 ( 0.000 4.402 14.171) 14.839 12.907 ( 0.000 1.392 19.756) 19.805 13.107 ( 0.000 5.390 -15.075) 16.010 13.348 ( 0.000 1.620 -21.375) 21.436 13.887 ( 0.000 2.017 7.000) 7.285 14.040 ( 0.000 0.166 -7.046) 7.048 14.422 ( 0.000 -0.655 9.724) 9.746 14.547 ( 0.000 -2.329 -0.479) 2.378 14.800 ( 0.000 3.324 0.042) 3.325 14.894 ( 0.000 1.350 -6.981) 7.111 15.658 ( 0.000 -3.251 1.475) 3.570 15.675 ( 0.000 -5.923 0.458) 5.941 15.798 ( 0.000 -1.258 2.004) 2.366 15.855 ( 0.000 -5.176 -2.515) 5.755 16.421 ( 0.000 -1.207 2.946) 3.183 16.462 ( 0.000 -0.641 0.319) 0.716 16.491 ( 0.000 0.888 0.293) 0.935 16.505 ( 0.000 -3.631 6.777) 7.689 16.540 ( 0.000 -0.478 -1.880) 1.940 16.707 ( 0.000 -7.789 -8.079) 11.223 17.389 ( 0.000 5.188 0.912) 5.267 17.428 ( 0.000 7.266 -3.128) 7.911 17.972 ( 0.000 -3.298 0.138) 3.301 17.979 ( 0.000 -2.295 -0.626) 2.379 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 8.101 16.103 18.468) 25.807 2.446 ( -14.319 5.562 16.257) 22.367 2.554 ( 1.319 5.879 -9.268) 11.055 2.614 ( -2.930 6.632 -8.903) 11.482 2.992 ( 4.324 3.647 0.166) 5.659 3.170 ( -1.247 2.307 -14.906) 15.135 3.451 ( -2.800 1.639 7.341) 8.026 3.546 ( -2.104 -8.145 0.616) 8.435 3.636 ( 0.726 -6.466 -0.389) 6.518 3.694 ( -2.088 -0.203 -5.683) 6.058 4.107 ( 1.683 -11.407 9.330) 14.832 4.305 ( -2.365 -11.552 -9.598) 15.204 4.855 ( 0.981 16.555 13.312) 21.266 5.041 ( -3.303 22.201 -6.174) 23.279 5.167 ( -8.006 5.147 19.373) 21.585 5.361 ( -20.021 0.703 24.611) 31.734 5.718 ( -4.584 1.700 -27.573) 28.003 5.878 ( -15.216 -0.515 -21.553) 26.388 6.152 ( 0.338 0.833 13.928) 13.957 6.357 ( 15.354 -3.985 13.688) 20.952 6.479 ( -3.436 -0.279 -13.950) 14.370 6.651 ( 11.688 -3.808 -10.496) 16.164 7.161 ( -5.926 -4.562 -1.850) 7.704 7.171 ( -4.570 -4.542 -3.041) 7.124 7.273 ( 1.914 -7.002 4.054) 8.315 7.346 ( 2.026 -7.258 -2.550) 7.956 7.848 ( -7.088 -8.325 2.031) 11.121 7.932 ( -8.090 -8.430 -5.711) 13.005 8.500 ( 3.724 13.418 1.158) 13.973 8.511 ( 2.442 12.782 0.029) 13.013 9.131 ( 10.249 4.055 3.007) 11.425 9.179 ( 10.220 4.230 -1.873) 11.219 10.337 ( 0.860 5.855 10.542) 12.089 10.545 ( 1.256 3.946 -9.156) 10.049 11.690 ( -0.185 -4.086 5.184) 6.604 11.792 ( -0.924 -5.044 -4.525) 6.839 12.801 ( -9.184 2.738 17.255) 19.738 12.819 ( 2.517 4.085 12.677) 13.555 13.110 ( 0.279 5.014 -14.552) 15.394 13.196 ( -12.959 2.913 -19.791) 23.835 14.015 ( 11.274 0.437 7.936) 13.794 14.155 ( 8.058 -2.750 -4.040) 9.424 14.404 ( 0.029 1.188 7.142) 7.240 14.540 ( -1.150 -2.958 -3.372) 4.631 14.806 ( 0.564 4.284 1.285) 4.507 14.890 ( -0.420 2.090 -5.035) 5.468 15.675 ( 1.965 -3.343 1.971) 4.349 15.706 ( 3.009 -4.745 -0.597) 5.650 15.843 ( 4.596 -1.852 3.194) 5.895 15.910 ( 5.426 -4.908 -2.467) 7.721 16.357 ( -4.620 -1.639 4.844) 6.892 16.437 ( -2.870 -1.873 -0.975) 3.563 16.465 ( -1.510 -0.171 0.376) 1.566 16.482 ( -2.999 -0.071 -2.733) 4.058 16.588 ( 4.296 -2.506 7.106) 8.673 16.760 ( 3.854 -6.639 -8.266) 11.281 17.392 ( 0.252 5.132 0.939) 5.223 17.429 ( 0.060 6.955 -2.867) 7.523 17.971 ( -0.136 -3.264 0.109) 3.268 17.977 ( -0.195 -2.373 -0.576) 2.450 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -9.309 4.217 17.968) 20.671 2.382 ( 12.372 10.434 15.933) 22.711 2.458 ( -5.008 1.579 -5.200) 7.390 2.735 ( 9.480 6.444 -15.931) 19.627 2.992 ( -3.942 1.595 -1.047) 4.379 3.061 ( -9.840 0.610 -8.559) 13.056 3.374 ( -5.155 -0.075 5.892) 7.829 3.506 ( -4.537 -4.405 -6.097) 8.784 3.621 ( 1.271 -2.469 4.365) 5.174 3.727 ( 4.533 -3.403 -5.123) 7.640 4.131 ( 0.494 -13.120 3.314) 13.541 4.231 ( -5.183 -11.406 -5.921) 13.857 4.807 ( -9.137 16.897 7.872) 20.760 4.915 ( -10.188 17.967 -0.434) 20.659 5.008 ( -10.471 2.729 18.438) 21.378 5.081 ( -3.132 10.680 21.211) 23.954 5.529 ( -17.454 0.271 -25.934) 31.262 5.627 ( -5.948 3.710 -24.636) 25.614 6.152 ( 0.060 3.995 10.232) 10.984 6.387 ( -4.187 1.422 -11.061) 11.912 6.640 ( 6.982 -3.329 11.428) 13.799 6.792 ( 3.841 -3.058 -2.421) 5.473 7.006 ( -6.968 -1.555 1.723) 7.345 7.148 ( 3.693 -4.893 -8.773) 10.703 7.324 ( 1.183 -8.396 3.570) 9.200 7.373 ( -0.185 -7.592 -1.048) 7.667 7.691 ( -7.652 -8.408 0.871) 11.402 7.744 ( -9.793 -7.081 -4.151) 12.778 8.588 ( 5.128 12.255 1.356) 13.353 8.595 ( 5.557 12.657 0.597) 13.836 9.353 ( 12.322 1.625 3.853) 13.012 9.417 ( 13.442 1.308 -2.203) 13.684 10.348 ( 0.023 6.916 10.343) 12.443 10.555 ( -0.690 5.195 -9.108) 10.509 11.693 ( 0.646 -6.486 4.098) 7.700 11.772 ( -1.008 -6.966 -3.367) 7.803 12.629 ( -7.620 5.088 12.805) 15.746 12.883 ( 3.856 3.286 8.672) 10.044 12.939 ( -12.700 5.159 -16.304) 21.300 13.113 ( -0.258 4.290 -12.768) 13.472 14.204 ( 4.374 -4.865 7.954) 10.299 14.259 ( 6.085 -3.663 3.801) 8.056 14.476 ( 5.739 0.578 -0.615) 5.801 14.517 ( -0.332 -2.232 -4.219) 4.785 14.814 ( 0.166 6.679 2.565) 7.156 14.882 ( -0.307 4.223 -3.136) 5.269 15.737 ( 4.641 -3.070 2.852) 6.253 15.788 ( 5.634 -3.596 -1.787) 6.918 15.952 ( 5.881 -2.270 5.223) 8.187 16.036 ( 6.538 -4.496 -1.966) 8.175 16.289 ( -1.556 -2.377 4.143) 5.024 16.364 ( -3.612 -3.268 -2.375) 5.419 16.427 ( -2.074 0.686 0.914) 2.368 16.446 ( -1.694 0.819 -0.693) 2.005 16.654 ( 2.424 -2.684 6.524) 7.459 16.816 ( 1.592 -5.843 -8.244) 10.229 17.397 ( 0.231 5.001 0.962) 5.098 17.429 ( -0.103 6.195 -2.220) 6.581 17.967 ( -0.262 -3.173 0.057) 3.184 17.972 ( -0.314 -2.639 -0.464) 2.697 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 2.343 2.853 12.400) 12.938 2.380 ( -0.996 0.059 -9.260) 9.314 2.654 ( 12.874 4.493 12.768) 18.680 2.824 ( -9.501 0.206 -1.860) 9.684 2.862 ( -9.869 -1.506 -3.500) 10.579 2.935 ( 8.341 2.149 -11.656) 14.493 3.267 ( -5.844 -0.821 4.570) 7.464 3.380 ( -7.346 -3.985 -5.526) 10.019 3.700 ( 5.599 0.541 5.662) 7.981 3.810 ( 3.281 -1.750 -4.090) 5.528 4.119 ( -2.677 -9.509 -1.669) 10.018 4.125 ( -4.887 -9.135 -2.024) 10.556 4.615 ( -6.943 5.696 7.283) 11.562 4.708 ( -9.582 7.874 7.390) 14.437 4.793 ( -11.198 7.344 -0.273) 13.394 5.062 ( -7.625 5.746 -5.827) 11.185 5.271 ( -4.022 13.028 -2.091) 13.794 5.531 ( -4.798 12.374 -16.770) 21.387 6.172 ( 2.342 4.979 7.392) 9.215 6.321 ( -2.663 2.435 -6.712) 7.620 6.604 ( -4.869 1.781 4.205) 6.676 6.724 ( -8.724 2.862 -7.060) 11.582 7.084 ( 9.801 -6.507 9.223) 14.948 7.227 ( -2.955 -7.555 -3.010) 8.653 7.261 ( -3.170 -5.977 -0.217) 6.769 7.320 ( -3.225 -6.940 -3.563) 8.442 7.611 ( -0.336 -9.001 1.913) 9.209 7.642 ( -1.075 -9.119 -0.837) 9.220 8.682 ( 4.390 11.949 1.507) 12.818 8.693 ( 4.260 12.196 0.532) 12.930 9.579 ( 10.896 -0.865 5.168) 12.090 9.655 ( 10.732 -2.084 -1.670) 11.059 10.335 ( -1.073 8.844 8.048) 12.005 10.508 ( -4.275 6.979 -7.747) 11.270 11.714 ( 1.347 -9.394 2.291) 9.763 11.757 ( -0.524 -9.329 -1.819) 9.519 12.532 ( -2.520 7.518 7.702) 11.054 12.729 ( -8.975 7.426 -10.842) 15.914 12.957 ( 3.473 2.806 3.298) 5.551 13.096 ( -1.613 3.627 -9.476) 10.274 14.250 ( 2.933 -5.303 8.207) 10.202 14.356 ( 2.975 -7.095 -0.236) 7.697 14.527 ( 0.943 -3.206 0.505) 3.379 14.560 ( 2.077 -2.129 -1.757) 3.455 14.818 ( 0.626 10.049 2.997) 10.505 14.877 ( -0.399 7.679 -2.301) 8.026 15.849 ( 6.820 -3.017 3.851) 8.393 15.912 ( 6.787 -3.294 -1.847) 7.767 16.028 ( 1.817 -2.548 5.552) 6.373 16.101 ( -0.172 -4.142 -0.507) 4.177 16.320 ( 3.062 -3.389 1.353) 4.763 16.324 ( -1.098 -2.874 0.712) 3.158 16.401 ( 0.476 1.133 1.218) 1.730 16.421 ( 0.086 1.317 -0.427) 1.387 16.680 ( 0.493 -2.700 4.902) 5.618 16.814 ( -1.807 -4.927 -7.208) 8.916 17.401 ( 0.221 4.826 0.805) 4.898 17.424 ( -0.372 5.388 -1.424) 5.585 17.962 ( -0.248 -3.139 0.016) 3.149 17.966 ( -0.327 -2.970 -0.357) 3.009 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 9.778 1.531 2.006) 10.099 2.395 ( -0.294 0.587 -10.837) 10.857 2.595 ( -6.376 -2.092 3.909) 7.766 2.664 ( -9.696 -2.300 -2.760) 10.340 2.934 ( 11.580 1.164 8.154) 14.210 3.072 ( 1.731 -2.012 -0.916) 2.808 3.167 ( -1.863 -0.845 -1.172) 2.358 3.249 ( -6.252 -3.561 -5.174) 8.862 3.799 ( 4.034 2.226 3.810) 5.979 3.839 ( -0.203 0.906 0.204) 0.950 4.039 ( -2.366 -4.430 -0.323) 5.033 4.056 ( -3.632 -4.164 -1.716) 5.786 4.573 ( -0.805 2.305 0.426) 2.478 4.612 ( -3.329 4.842 -4.476) 7.387 4.634 ( 1.883 -3.087 1.543) 3.931 4.818 ( -13.251 -3.215 -13.473) 19.169 5.325 ( 5.366 23.801 4.712) 24.850 5.432 ( -5.575 21.082 -5.512) 22.493 6.230 ( 3.090 3.896 2.534) 5.581 6.278 ( -2.121 2.555 -2.192) 3.979 6.549 ( -0.457 5.326 -0.387) 5.359 6.588 ( -4.673 5.433 -4.050) 8.232 7.099 ( -3.547 -8.314 -0.470) 9.051 7.120 ( -5.401 -9.256 -2.265) 10.953 7.281 ( 5.774 -4.531 4.397) 8.556 7.339 ( 0.090 -4.287 -0.881) 4.378 7.630 ( 1.165 -10.741 2.058) 10.999 7.641 ( 0.040 -11.210 1.089) 11.262 8.743 ( 1.828 11.951 1.222) 12.152 8.748 ( 1.388 12.036 0.808) 12.143 9.750 ( 6.380 -3.559 5.121) 8.922 9.791 ( 2.665 -4.826 1.713) 5.773 10.333 ( 1.708 10.752 2.019) 11.072 10.408 ( -5.452 9.308 -4.482) 11.681 11.737 ( 0.942 -11.284 0.612) 11.340 11.749 ( -0.425 -11.116 -0.581) 11.139 12.528 ( 1.872 9.169 1.989) 9.567 12.596 ( -5.186 9.147 -4.381) 11.390 13.013 ( 2.476 2.807 -1.555) 4.053 13.057 ( -2.253 3.160 -5.628) 6.836 14.324 ( 4.314 -6.613 6.405) 10.167 14.381 ( -0.813 -8.429 2.299) 8.775 14.534 ( 0.669 -3.268 -0.399) 3.359 14.562 ( -1.444 -3.895 -1.881) 4.561 14.839 ( 1.356 11.454 1.692) 11.657 14.863 ( -1.039 10.435 -0.541) 10.500 15.976 ( 5.694 -4.907 3.674) 8.366 16.015 ( 2.895 -6.050 0.327) 6.715 16.045 ( 0.460 -1.587 3.169) 3.574 16.066 ( -2.499 -1.145 1.297) 3.040 16.296 ( -0.943 -0.824 1.176) 1.718 16.314 ( -2.188 -0.927 -0.281) 2.393 16.454 ( 3.218 -0.563 2.883) 4.357 16.469 ( 2.372 -0.685 1.996) 3.175 16.693 ( 1.687 -2.967 0.352) 3.431 16.755 ( -3.998 -3.866 -4.797) 7.345 17.406 ( 0.399 4.709 0.276) 4.734 17.415 ( -0.507 4.861 -0.555) 4.918 17.959 ( -0.040 -3.189 -0.078) 3.190 17.961 ( -0.205 -3.162 -0.228) 3.177 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 0.000 15.333 13.398) 20.362 2.699 ( 0.000 4.819 6.286) 7.921 2.798 ( 0.000 11.587 -7.043) 13.559 2.927 ( 0.000 6.986 12.244) 14.097 2.931 ( 0.000 5.477 -7.945) 9.649 3.181 ( 0.000 -2.316 -7.231) 7.593 3.394 ( 0.000 -8.373 -0.185) 8.375 3.415 ( 0.000 -7.073 -3.206) 7.766 3.563 ( 0.000 3.117 5.788) 6.574 3.711 ( 0.000 -2.030 -7.512) 7.782 3.883 ( 0.000 -6.799 5.876) 8.986 4.078 ( 0.000 -11.273 -10.937) 15.707 5.101 ( 0.000 10.898 28.112) 30.151 5.515 ( 0.000 -3.649 16.366) 16.768 5.586 ( 0.000 21.401 6.216) 22.285 5.600 ( 0.000 19.385 -2.945) 19.608 5.862 ( 0.000 7.000 -23.062) 24.101 5.956 ( 0.000 0.982 3.717) 3.845 6.131 ( 0.000 0.371 17.936) 17.940 6.165 ( 0.000 -5.189 -8.021) 9.553 6.419 ( 0.000 -1.803 -13.123) 13.246 6.493 ( 0.000 -0.848 -15.034) 15.058 6.862 ( 0.000 -19.028 3.209) 19.296 6.946 ( 0.000 -19.403 -4.526) 19.924 7.212 ( 0.000 -2.461 -1.635) 2.955 7.226 ( 0.000 -3.213 -2.534) 4.092 7.795 ( 0.000 -2.882 1.387) 3.199 7.860 ( 0.000 -5.187 -4.552) 6.901 8.741 ( 0.000 9.686 0.352) 9.692 8.741 ( 0.000 10.787 0.454) 10.796 9.122 ( 0.000 3.164 3.653) 4.833 9.170 ( 0.000 2.170 -1.153) 2.458 10.489 ( 0.000 8.612 6.275) 10.655 10.620 ( 0.000 3.877 -6.117) 7.242 11.611 ( 0.000 -3.582 3.305) 4.873 11.683 ( 0.000 -5.993 -3.565) 6.973 12.902 ( 0.000 4.595 16.039) 16.685 12.944 ( 0.000 1.679 19.385) 19.458 13.261 ( 0.000 8.027 -16.233) 18.109 13.394 ( 0.000 2.181 -21.498) 21.609 13.943 ( 0.000 2.882 5.641) 6.334 14.034 ( 0.000 -0.845 -2.492) 2.632 14.399 ( 0.000 -1.221 3.926) 4.112 14.475 ( 0.000 -4.038 -4.015) 5.695 14.922 ( 0.000 8.228 1.813) 8.426 14.968 ( 0.000 6.079 -2.579) 6.604 15.452 ( 0.000 -13.331 2.397) 13.544 15.466 ( 0.000 -13.482 1.104) 13.527 15.802 ( 0.000 0.109 -0.837) 0.844 15.803 ( 0.000 0.875 -1.194) 1.480 16.388 ( 0.000 -1.914 3.066) 3.615 16.403 ( 0.000 -3.789 4.477) 5.865 16.465 ( 0.000 -0.131 0.906) 0.916 16.509 ( 0.000 0.731 -0.294) 0.788 16.534 ( 0.000 -0.347 -2.328) 2.354 16.548 ( 0.000 -5.685 -3.500) 6.676 17.534 ( 0.000 7.787 1.778) 7.987 17.601 ( 0.000 8.223 -5.014) 9.631 17.868 ( 0.000 -6.198 0.923) 6.266 17.902 ( 0.000 -4.821 -2.498) 5.430 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -0.877 10.276 13.059) 16.640 2.618 ( -10.981 5.008 6.896) 13.901 2.633 ( -8.363 9.010 7.916) 14.621 2.826 ( 1.295 9.293 -13.441) 16.392 3.074 ( 1.089 2.721 3.839) 4.830 3.227 ( -0.169 2.562 -10.235) 10.553 3.329 ( -2.309 -10.217 2.150) 10.693 3.391 ( -1.990 -6.565 -2.889) 7.443 3.593 ( 2.143 2.615 3.338) 4.751 3.684 ( -2.175 -1.045 -5.318) 5.840 3.880 ( 0.101 -7.774 4.045) 8.764 4.057 ( -1.987 -10.964 -10.632) 15.401 5.138 ( 1.717 7.755 27.729) 28.844 5.329 ( -15.991 -0.472 21.870) 27.096 5.475 ( -8.459 21.569 7.550) 24.367 5.617 ( 0.418 27.381 -5.102) 27.856 5.768 ( -8.064 2.856 -26.369) 27.723 5.869 ( -12.312 -0.140 -20.559) 23.964 6.172 ( 6.571 -0.539 14.371) 15.811 6.255 ( 9.647 -3.478 12.234) 15.964 6.468 ( 0.184 -1.671 -10.599) 10.732 6.551 ( 7.437 -3.785 -10.367) 13.308 6.899 ( 2.896 -17.122 1.075) 17.398 6.946 ( -0.425 -17.152 -3.375) 17.486 7.186 ( -2.767 -1.969 -1.138) 3.582 7.213 ( -0.618 -3.900 -3.080) 5.007 7.715 ( -7.735 -3.204 1.481) 8.502 7.781 ( -7.810 -5.338 -4.538) 10.492 8.774 ( 3.577 10.725 1.156) 11.365 8.784 ( 4.135 11.299 0.185) 12.033 9.198 ( 7.154 1.528 3.380) 8.059 9.243 ( 7.071 0.729 -1.022) 7.182 10.514 ( 2.327 9.539 6.431) 11.737 10.651 ( 2.901 4.774 -6.551) 8.609 11.582 ( -2.835 -4.896 3.290) 6.544 11.653 ( -2.935 -7.008 -3.497) 8.364 12.876 ( -5.970 3.748 17.440) 18.810 12.912 ( 1.027 3.442 14.593) 15.029 13.244 ( -1.551 6.334 -15.813) 17.105 13.278 ( -9.973 4.170 -19.677) 22.450 14.033 ( 7.567 1.427 5.917) 9.711 14.109 ( 5.614 -1.362 -0.708) 5.820 14.392 ( 0.104 -1.996 2.307) 3.052 14.458 ( -1.453 -4.360 -4.490) 6.424 14.949 ( 2.502 9.033 1.989) 9.582 14.987 ( 1.868 7.291 -1.514) 7.677 15.488 ( 3.370 -12.789 2.485) 13.457 15.503 ( 3.783 -13.234 1.163) 13.813 15.841 ( 4.274 0.959 -0.061) 4.381 15.857 ( 5.341 0.058 -1.426) 5.529 16.316 ( -4.961 -1.752 3.976) 6.595 16.369 ( -4.364 -3.929 -0.294) 5.879 16.462 ( -0.528 -0.012 1.053) 1.179 16.478 ( -1.458 -0.454 -0.611) 1.645 16.551 ( 3.079 -0.514 2.248) 3.847 16.629 ( 4.164 -4.660 -4.254) 7.560 17.535 ( 0.101 7.714 1.678) 7.896 17.597 ( -0.437 8.093 -4.552) 9.296 17.867 ( -0.106 -6.187 0.836) 6.244 17.899 ( -0.384 -4.914 -2.307) 5.442 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -10.271 5.879 13.103) 17.656 2.464 ( -7.500 -0.107 0.056) 7.501 2.637 ( 5.448 10.594 9.818) 15.437 2.863 ( 1.881 3.837 -10.337) 11.185 3.014 ( -6.857 -0.033 1.652) 7.053 3.080 ( -10.536 1.522 -4.571) 11.585 3.283 ( -4.345 -6.536 1.830) 8.059 3.373 ( -3.510 -6.864 -5.980) 9.757 3.630 ( 4.138 2.798 3.337) 6.007 3.711 ( 4.781 1.937 -4.730) 6.999 3.894 ( 1.413 -8.399 1.243) 8.607 4.014 ( -2.208 -8.730 -8.521) 12.397 5.001 ( -17.046 3.067 19.058) 25.752 5.021 ( -13.611 1.092 19.659) 23.936 5.348 ( -11.927 16.534 -7.232) 21.632 5.460 ( -14.162 10.819 -14.328) 22.867 5.612 ( -1.952 14.981 -4.923) 15.890 5.807 ( 5.834 16.675 -14.002) 22.542 6.265 ( 3.236 5.949 7.558) 10.148 6.416 ( 1.011 -1.097 -3.916) 4.190 6.524 ( 9.642 -6.086 10.647) 15.601 6.680 ( 5.358 -6.336 -1.611) 8.453 6.908 ( -3.452 -9.809 -2.884) 10.792 6.950 ( 2.608 -15.022 -6.517) 16.581 7.140 ( -1.308 -5.122 2.440) 5.822 7.201 ( -1.560 -6.448 -3.207) 7.369 7.535 ( -10.054 -4.359 1.715) 11.092 7.597 ( -10.287 -5.707 -4.046) 12.440 8.868 ( 5.858 12.305 1.816) 13.749 8.886 ( 6.078 12.627 0.124) 14.014 9.357 ( 8.772 -1.687 3.651) 9.651 9.405 ( 9.021 -2.822 -0.885) 9.494 10.565 ( 2.654 12.065 6.309) 13.871 10.709 ( 2.449 7.733 -7.174) 10.829 11.515 ( -3.721 -8.673 3.052) 9.919 11.582 ( -4.156 -9.723 -3.305) 11.079 12.767 ( -4.426 7.097 13.238) 15.659 12.942 ( 2.005 1.113 10.576) 10.822 13.082 ( -9.452 7.307 -15.689) 19.720 13.209 ( -2.138 3.296 -13.792) 14.341 14.141 ( 2.803 -0.081 6.104) 6.718 14.207 ( 4.544 -0.414 0.752) 4.624 14.405 ( 0.600 -5.487 0.417) 5.536 14.450 ( 1.147 -4.673 -3.744) 6.097 15.003 ( 2.960 10.617 2.571) 11.317 15.036 ( 2.992 9.718 -0.452) 10.178 15.569 ( 5.014 -12.007 3.203) 13.400 15.599 ( 5.895 -13.090 0.624) 14.370 15.950 ( 6.203 1.771 2.217) 6.821 15.990 ( 7.707 0.413 -1.398) 7.844 16.232 ( -3.137 -2.531 3.070) 5.067 16.280 ( -3.883 -4.096 -1.299) 5.791 16.444 ( -1.111 0.877 1.338) 1.948 16.463 ( -0.704 0.569 -0.159) 0.919 16.601 ( 1.868 -1.592 3.151) 3.994 16.689 ( 1.921 -5.252 -4.637) 7.265 17.536 ( 0.025 7.556 1.386) 7.682 17.585 ( -0.811 7.792 -3.435) 8.554 17.864 ( -0.242 -6.183 0.606) 6.218 17.888 ( -0.693 -5.182 -1.805) 5.531 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 0.239 4.643 9.432) 10.515 2.371 ( -1.538 -1.321 -3.479) 4.027 2.726 ( -0.955 1.806 4.739) 5.161 2.811 ( -9.974 -2.338 -3.370) 10.784 2.858 ( -3.623 2.305 1.688) 4.614 2.967 ( 1.038 0.355 -7.429) 7.509 3.190 ( -5.253 -4.808 2.821) 7.660 3.257 ( -7.021 -6.217 -3.390) 9.972 3.756 ( 7.503 3.787 2.000) 8.639 3.808 ( 4.511 2.045 -2.659) 5.621 3.939 ( 3.149 -6.615 -1.299) 7.440 3.985 ( -0.567 -4.697 -4.801) 6.741 4.717 ( -11.570 3.138 11.510) 16.619 4.751 ( -12.427 0.505 11.852) 17.180 5.028 ( -17.790 8.505 -14.686) 24.587 5.121 ( -18.840 1.601 -19.772) 27.358 5.741 ( 9.379 26.763 9.432) 29.886 5.923 ( 4.916 23.604 -7.837) 25.353 6.313 ( 2.324 7.230 4.657) 8.908 6.396 ( -1.550 4.110 -3.138) 5.399 6.626 ( 1.009 -0.677 6.051) 6.172 6.768 ( -2.276 -0.482 -7.690) 8.035 6.872 ( 6.671 -13.158 8.466) 17.009 7.025 ( 0.971 -14.243 -4.895) 15.092 7.102 ( -3.311 -6.907 -0.130) 7.661 7.129 ( -3.001 -7.472 -2.062) 8.312 7.382 ( -5.074 -9.329 2.687) 10.954 7.432 ( -6.593 -8.667 -2.182) 11.106 8.978 ( 5.183 13.997 1.937) 15.051 8.995 ( 4.891 14.288 0.330) 15.105 9.513 ( 7.125 -5.513 4.006) 9.859 9.558 ( 6.449 -6.870 -0.118) 9.423 10.608 ( 1.931 15.255 4.629) 16.058 10.727 ( -0.647 12.336 -6.390) 13.908 11.456 ( -2.239 -13.412 2.035) 13.749 11.507 ( -3.496 -13.114 -2.821) 13.862 12.723 ( -0.187 9.555 8.283) 12.647 12.919 ( -5.995 8.939 -8.913) 13.974 13.000 ( 2.267 0.321 4.154) 4.743 13.162 ( -2.730 1.180 -9.941) 10.377 14.181 ( 2.219 0.113 5.477) 5.910 14.259 ( 1.146 -0.979 -0.930) 1.771 14.419 ( 0.750 -6.506 1.292) 6.675 14.468 ( 0.069 -6.060 -2.525) 6.565 15.058 ( 2.683 12.099 2.876) 12.722 15.087 ( 2.108 11.316 0.153) 11.511 15.669 ( 4.857 -12.677 3.803) 14.098 15.706 ( 4.556 -14.060 0.534) 14.789 16.036 ( 2.713 2.898 4.150) 5.744 16.094 ( 2.282 2.822 -1.167) 3.812 16.225 ( 2.170 -4.791 2.717) 5.920 16.259 ( 1.689 -3.496 -0.743) 3.953 16.430 ( 0.164 1.583 1.469) 2.165 16.453 ( 0.180 1.440 -0.606) 1.572 16.619 ( 0.057 -2.341 2.934) 3.754 16.699 ( -0.941 -5.177 -4.245) 6.761 17.536 ( 0.026 7.391 0.884) 7.444 17.568 ( -0.966 7.475 -2.151) 7.838 17.859 ( -0.240 -6.189 0.290) 6.201 17.874 ( -0.749 -5.557 -1.178) 5.730 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 8.415 2.791 2.173) 9.129 2.405 ( 3.490 -0.171 -6.236) 7.148 2.552 ( -9.584 -1.398 1.910) 9.872 2.607 ( -10.247 -2.822 -2.612) 10.945 2.940 ( 6.869 -0.130 3.694) 7.800 3.019 ( 2.237 -2.724 -2.889) 4.557 3.091 ( -4.177 -4.623 1.185) 6.342 3.134 ( -5.526 -5.784 -2.391) 8.349 3.869 ( 3.391 3.791 1.821) 5.402 3.874 ( 2.376 2.168 0.909) 3.343 3.978 ( 0.853 -2.194 -0.950) 2.539 3.990 ( -0.010 -1.765 -1.734) 2.474 4.609 ( 0.383 1.512 -0.246) 1.579 4.622 ( 1.172 0.809 0.827) 1.647 4.734 ( -11.856 4.659 -9.242) 15.738 4.794 ( -14.338 0.270 -12.380) 18.945 5.894 ( 6.117 27.926 5.246) 29.065 5.963 ( -0.916 26.925 -1.339) 26.973 6.355 ( 1.548 6.931 0.968) 7.167 6.374 ( -0.803 6.218 -1.062) 6.359 6.664 ( 3.730 3.476 1.538) 5.325 6.717 ( -1.161 4.933 -3.183) 5.984 6.893 ( -4.875 -10.964 -0.444) 12.007 6.915 ( -7.044 -7.511 -2.426) 10.579 7.126 ( 7.590 -9.623 4.460) 13.042 7.196 ( 3.178 -9.112 -1.986) 9.853 7.311 ( -3.130 -16.857 2.559) 17.335 7.333 ( -3.865 -14.589 0.399) 15.097 9.052 ( 2.289 15.311 1.540) 15.558 9.059 ( 1.572 15.464 0.872) 15.568 9.617 ( 3.490 -8.774 3.386) 10.031 9.636 ( 1.544 -9.451 1.635) 9.715 10.645 ( 2.192 17.213 0.933) 17.377 10.692 ( -2.545 16.171 -3.374) 16.714 11.435 ( 0.015 -16.093 0.172) 16.094 11.454 ( -1.956 -15.696 -1.664) 15.905 12.751 ( 2.790 10.781 2.627) 11.442 12.820 ( -4.329 10.803 -3.733) 12.223 13.052 ( 2.857 -0.457 0.055) 2.894 13.107 ( -2.945 0.149 -5.096) 5.887 14.229 ( 2.517 -0.967 3.603) 4.500 14.263 ( -0.764 -1.657 0.911) 2.039 14.432 ( 0.770 -6.115 0.009) 6.163 14.453 ( -1.294 -6.183 -1.589) 6.514 15.099 ( 1.484 12.833 2.197) 13.104 15.111 ( 0.339 12.534 1.093) 12.586 15.735 ( 2.013 -14.561 3.048) 15.012 15.752 ( 0.368 -15.176 1.578) 15.263 16.087 ( 2.864 3.424 3.251) 5.522 16.117 ( 0.314 3.451 0.618) 3.520 16.254 ( 0.688 -3.015 2.422) 3.928 16.275 ( -0.904 -2.680 0.591) 2.889 16.462 ( 2.598 1.477 1.481) 3.336 16.480 ( 1.496 1.683 -0.021) 2.251 16.616 ( 0.504 -3.698 0.687) 3.795 16.658 ( -2.992 -4.673 -2.865) 6.245 17.540 ( 0.355 7.267 0.104) 7.276 17.551 ( -0.786 7.276 -0.944) 7.379 17.857 ( 0.049 -6.125 -0.101) 6.126 17.862 ( -0.479 -5.910 -0.590) 5.959 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 0.000 -4.990 11.739) 12.755 2.705 ( 0.000 4.990 11.739) 12.755 2.976 ( 0.000 -3.826 -12.296) 12.877 2.976 ( 0.000 3.826 -12.296) 12.877 3.089 ( 0.000 -5.718 9.535) 11.118 3.089 ( 0.000 5.718 9.535) 11.118 3.295 ( 0.000 -1.489 -2.031) 2.519 3.295 ( 0.000 1.489 -2.031) 2.519 3.641 ( 0.000 -3.928 -1.512) 4.209 3.641 ( 0.000 3.928 -1.512) 4.209 3.878 ( 0.000 -5.971 -6.186) 8.598 3.878 ( 0.000 5.971 -6.186) 8.598 5.327 ( 0.000 -10.069 27.126) 28.935 5.327 ( 0.000 10.069 27.126) 28.935 5.877 ( 0.000 -3.092 -19.651) 19.893 5.877 ( 0.000 3.092 -19.651) 19.893 5.993 ( 0.000 -0.636 8.714) 8.737 5.993 ( 0.000 0.636 8.714) 8.737 6.173 ( 0.000 -7.329 2.807) 7.848 6.173 ( 0.000 7.329 2.807) 7.848 6.480 ( 0.000 -17.939 -4.818) 18.575 6.480 ( 0.000 17.939 -4.818) 18.575 6.527 ( 0.000 -6.575 -9.328) 11.412 6.527 ( 0.000 6.575 -9.328) 11.412 7.186 ( 0.000 -0.304 -2.096) 2.118 7.186 ( 0.000 0.304 -2.096) 2.118 7.786 ( 0.000 -1.695 -1.765) 2.447 7.786 ( 0.000 1.695 -1.765) 2.447 8.866 ( 0.000 -0.470 0.931) 1.043 8.866 ( 0.000 0.470 0.931) 1.043 9.165 ( 0.000 -1.623 1.187) 2.010 9.165 ( 0.000 1.623 1.187) 2.010 10.636 ( 0.000 -3.454 0.062) 3.454 10.636 ( 0.000 3.454 0.062) 3.454 11.585 ( 0.000 -1.976 -0.652) 2.081 11.585 ( 0.000 1.976 -0.652) 2.081 12.960 ( 0.000 -0.660 17.980) 17.992 12.960 ( 0.000 0.660 17.980) 17.992 13.396 ( 0.000 -3.184 -19.007) 19.272 13.396 ( 0.000 3.184 -19.007) 19.272 14.000 ( 0.000 -2.246 2.426) 3.306 14.000 ( 0.000 2.246 2.426) 3.306 14.401 ( 0.000 -2.028 -2.295) 3.062 14.401 ( 0.000 2.028 -2.295) 3.062 15.147 ( 0.000 -6.095 1.192) 6.210 15.147 ( 0.000 6.095 1.192) 6.210 15.178 ( 0.000 -5.436 1.690) 5.693 15.178 ( 0.000 5.436 1.690) 5.693 15.813 ( 0.000 -0.215 -1.284) 1.302 15.813 ( 0.000 0.215 -1.284) 1.302 16.358 ( 0.000 -0.008 3.423) 3.423 16.358 ( 0.000 0.008 3.423) 3.423 16.476 ( 0.000 -1.401 -0.906) 1.669 16.476 ( 0.000 1.401 -0.906) 1.669 16.524 ( 0.000 -0.564 -0.926) 1.084 16.524 ( 0.000 0.564 -0.926) 1.084 17.704 ( 0.000 -6.887 1.193) 6.989 17.704 ( 0.000 6.887 1.193) 6.989 17.777 ( 0.000 -5.947 -3.921) 7.123 17.777 ( 0.000 5.947 -3.921) 7.123 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -8.998 -2.457 9.060) 13.003 2.622 ( -8.998 2.457 9.060) 13.003 2.876 ( -4.625 -7.169 -1.295) 8.629 2.876 ( -4.625 7.169 -1.295) 8.629 3.140 ( 0.137 -6.263 4.184) 7.533 3.140 ( 0.137 6.263 4.184) 7.533 3.286 ( -0.846 -3.055 -6.445) 7.183 3.286 ( -0.846 3.055 -6.445) 7.183 3.646 ( 0.994 -2.348 0.802) 2.673 3.646 ( 0.994 2.348 0.802) 2.673 3.862 ( -1.102 -6.025 -7.375) 9.587 3.862 ( -1.102 6.025 -7.375) 9.587 5.266 ( -7.777 -4.590 25.198) 26.767 5.266 ( -7.777 4.590 25.198) 26.767 5.800 ( -9.634 -1.631 -20.162) 22.405 5.800 ( -9.634 1.631 -20.162) 22.405 5.979 ( 1.746 -11.798 6.925) 13.792 5.979 ( 1.746 11.798 6.925) 13.792 6.168 ( 1.462 -14.751 0.654) 14.837 6.168 ( 1.462 14.751 0.654) 14.837 6.498 ( 3.489 -13.906 -2.755) 14.599 6.498 ( 3.489 13.906 -2.755) 14.599 6.615 ( 5.155 -7.303 -5.227) 10.355 6.615 ( 5.155 7.303 -5.227) 10.355 7.168 ( -1.849 -0.478 -2.209) 2.920 7.168 ( -1.849 0.478 -2.209) 2.920 7.704 ( -8.008 -1.749 -1.670) 8.365 7.704 ( -8.008 1.749 -1.670) 8.365 8.916 ( 5.025 -0.730 0.994) 5.174 8.916 ( 5.025 0.730 0.994) 5.174 9.219 ( 5.081 -1.590 1.239) 5.466 9.219 ( 5.081 1.590 1.239) 5.466 10.677 ( 4.064 -3.728 -0.068) 5.515 10.677 ( 4.064 3.728 -0.068) 5.515 11.540 ( -4.585 -2.077 -0.694) 5.081 11.540 ( -4.585 2.077 -0.694) 5.081 12.936 ( -2.085 -1.252 16.501) 16.680 12.936 ( -2.085 1.252 16.501) 16.680 13.329 ( -5.892 -0.626 -17.949) 18.901 13.329 ( -5.892 0.626 -17.949) 18.901 14.077 ( 6.570 -2.159 2.834) 7.474 14.077 ( 6.570 2.159 2.834) 7.474 14.378 ( -1.950 -1.921 -2.454) 3.676 14.378 ( -1.950 1.921 -2.454) 3.676 15.182 ( 3.068 -5.371 1.469) 6.358 15.182 ( 3.068 5.371 1.469) 6.358 15.218 ( 4.161 -4.821 1.794) 6.616 15.218 ( 4.161 4.821 1.794) 6.616 15.860 ( 5.005 -0.388 -1.058) 5.131 15.860 ( 5.005 0.388 -1.058) 5.131 16.305 ( -4.646 -1.264 2.134) 5.266 16.305 ( -4.646 1.264 2.134) 5.266 16.467 ( -0.342 -0.435 0.547) 0.778 16.467 ( -0.342 0.435 0.547) 0.778 16.564 ( 2.781 -1.646 -1.210) 3.450 16.564 ( 2.781 1.646 -1.210) 3.450 17.704 ( -0.018 -6.771 1.095) 6.859 17.704 ( -0.018 6.771 1.095) 6.859 17.771 ( -0.554 -5.912 -3.572) 6.930 17.771 ( -0.554 5.912 -3.572) 6.930 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -9.536 -3.677 6.565) 12.147 2.424 ( -9.536 3.677 6.565) 12.147 2.827 ( -1.495 -6.515 0.597) 6.711 2.827 ( -1.495 6.515 0.597) 6.711 3.058 ( -7.773 -4.022 3.321) 9.361 3.058 ( -7.773 4.022 3.321) 9.361 3.246 ( -3.681 -4.082 -6.594) 8.584 3.246 ( -3.681 4.082 -6.594) 8.584 3.705 ( 5.431 -4.036 1.921) 7.034 3.705 ( 5.431 4.036 1.921) 7.034 3.856 ( 0.659 -5.499 -7.807) 9.572 3.856 ( 0.659 5.499 -7.807) 9.572 5.031 ( -15.220 -0.348 19.372) 24.638 5.031 ( -15.220 0.348 19.372) 24.638 5.508 ( -19.093 -1.510 -21.549) 28.830 5.508 ( -19.093 1.510 -21.549) 28.830 6.110 ( 10.298 -22.749 11.144) 27.345 6.110 ( 10.298 22.749 11.144) 27.345 6.261 ( 7.301 -15.739 -2.233) 17.493 6.261 ( 7.301 15.739 -2.233) 17.493 6.555 ( 1.932 -9.962 -1.547) 10.265 6.555 ( 1.932 9.962 -1.547) 10.265 6.691 ( 2.679 -5.298 -2.745) 6.541 6.691 ( 2.679 5.298 -2.745) 6.541 7.117 ( -3.379 -1.683 -1.554) 4.082 7.117 ( -3.379 1.683 -1.554) 4.082 7.513 ( -11.117 -1.830 -1.484) 11.364 7.513 ( -11.117 1.830 -1.484) 11.364 9.044 ( 7.958 -1.101 1.229) 8.127 9.044 ( 7.958 1.101 1.229) 8.127 9.329 ( 5.610 -1.775 1.381) 6.044 9.329 ( 5.610 1.775 1.381) 6.044 10.775 ( 5.819 -4.342 -0.353) 7.269 10.775 ( 5.819 4.342 -0.353) 7.269 11.422 ( -7.431 -2.484 -0.898) 7.887 11.422 ( -7.431 2.484 -0.898) 7.887 12.903 ( -0.894 -4.668 12.785) 13.640 12.903 ( -0.894 4.668 12.785) 13.640 13.210 ( -6.059 -3.495 -15.056) 16.602 13.210 ( -6.059 3.495 -15.056) 16.602 14.196 ( 5.063 -3.289 3.882) 7.178 14.196 ( 5.063 3.289 3.882) 7.178 14.344 ( -1.345 -2.849 -3.018) 4.363 14.344 ( -1.345 2.849 -3.018) 4.363 15.243 ( 3.106 -3.599 1.839) 5.097 15.243 ( 3.106 3.599 1.839) 5.097 15.324 ( 6.371 -3.332 2.067) 7.481 15.324 ( 6.371 3.332 2.067) 7.481 15.993 ( 8.164 -1.227 0.156) 8.257 15.993 ( 8.164 1.227 0.156) 8.257 16.212 ( -4.401 -1.405 0.934) 4.713 16.212 ( -4.401 1.405 0.934) 4.713 16.462 ( -0.262 -0.631 1.159) 1.346 16.462 ( -0.262 0.631 1.159) 1.346 16.606 ( 1.399 -2.196 -1.146) 2.845 16.606 ( 1.399 2.196 -1.146) 2.845 17.703 ( -0.082 -6.567 0.854) 6.622 17.703 ( -0.082 6.567 0.854) 6.623 17.756 ( -1.027 -5.898 -2.742) 6.585 17.756 ( -1.027 5.898 -2.742) 6.585 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -1.390 -3.930 3.907) 5.713 2.313 ( -1.390 3.930 3.907) 5.713 2.759 ( -8.081 -1.934 -1.445) 8.434 2.759 ( -8.081 1.934 -1.445) 8.434 2.928 ( -2.420 -3.581 0.211) 4.327 2.928 ( -2.420 3.581 0.211) 4.327 3.156 ( -5.387 -2.343 -1.562) 6.079 3.156 ( -5.387 2.343 -1.562) 6.079 3.830 ( 6.424 -3.760 0.107) 7.444 3.830 ( 6.424 3.760 0.107) 7.444 3.890 ( 3.177 -4.454 -4.502) 7.085 3.890 ( 3.177 4.454 -4.502) 7.085 4.753 ( -12.324 -0.519 11.198) 16.660 4.753 ( -12.324 0.519 11.198) 16.660 5.128 ( -19.696 -1.483 -17.771) 26.569 5.128 ( -19.696 1.483 -17.771) 26.569 6.300 ( 8.253 -19.905 7.701) 22.883 6.300 ( 8.253 19.905 7.701) 22.883 6.397 ( 5.764 -8.874 -1.345) 10.667 6.397 ( 5.764 8.874 -1.345) 10.667 6.601 ( 3.661 -11.454 2.483) 12.279 6.601 ( 3.661 11.454 2.483) 12.279 6.715 ( 0.446 -4.046 -4.746) 6.252 6.715 ( 0.446 4.046 -4.746) 6.252 7.046 ( -3.604 -1.590 -0.174) 3.943 7.046 ( -3.604 1.590 -0.174) 3.943 7.307 ( -10.185 -2.161 -0.902) 10.450 7.307 ( -10.185 2.161 -0.902) 10.450 9.201 ( 8.117 -1.495 1.535) 8.395 9.201 ( 8.117 1.495 1.535) 8.395 9.410 ( 2.489 -2.052 1.572) 3.588 9.410 ( 2.489 2.052 1.572) 3.588 10.887 ( 5.849 -4.827 -0.672) 7.613 10.887 ( 5.849 4.827 -0.672) 7.613 11.272 ( -8.008 -3.277 -1.186) 8.734 11.272 ( -8.008 3.277 -1.186) 8.734 12.911 ( 1.661 -6.906 7.880) 10.609 12.911 ( 1.661 6.906 7.880) 10.609 13.108 ( -4.662 -6.136 -10.249) 12.823 13.108 ( -4.662 6.136 -10.249) 12.823 14.261 ( 2.070 -5.968 3.499) 7.221 14.261 ( 2.070 5.968 3.499) 7.221 14.329 ( -0.471 -5.335 -2.700) 5.998 14.329 ( -0.471 5.335 -2.700) 5.998 15.304 ( 3.487 -2.487 1.906) 4.688 15.304 ( 3.487 2.487 1.906) 4.688 15.427 ( 3.460 -2.607 2.364) 4.935 15.427 ( 3.460 2.607 2.364) 4.935 16.121 ( 3.124 -4.595 3.658) 6.652 16.121 ( 3.124 4.595 3.658) 6.652 16.175 ( 2.137 -4.102 -1.345) 4.817 16.175 ( 2.137 4.102 -1.345) 4.817 16.462 ( 0.688 -0.928 0.850) 1.435 16.462 ( 0.688 0.928 0.850) 1.435 16.613 ( -0.794 -2.218 -0.864) 2.510 16.613 ( -0.794 2.218 -0.864) 2.510 17.702 ( -0.037 -6.496 0.493) 6.514 17.702 ( -0.037 6.496 0.493) 6.514 17.734 ( -1.165 -6.058 -1.791) 6.424 17.734 ( -1.165 6.058 -1.791) 6.424 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 7.042 -2.696 0.287) 7.545 2.372 ( 7.042 2.696 0.287) 7.545 2.555 ( -11.307 -1.625 -1.963) 11.591 2.555 ( -11.307 1.625 -1.963) 11.591 2.958 ( 3.919 -2.214 -0.477) 4.527 2.958 ( 3.919 2.214 -0.477) 4.527 3.051 ( -5.464 -1.329 -0.219) 5.628 3.051 ( -5.464 1.329 -0.219) 5.628 3.919 ( 3.512 -1.277 -0.709) 3.804 3.919 ( 3.512 1.277 -0.709) 3.804 3.952 ( 1.129 -1.626 0.132) 1.984 3.952 ( 1.129 1.626 0.132) 1.984 4.631 ( 1.159 -0.289 -0.085) 1.197 4.631 ( 1.159 0.289 -0.085) 1.197 4.794 ( -14.404 -1.002 -10.597) 17.911 4.794 ( -14.404 1.002 -10.597) 17.911 6.406 ( 3.640 -9.935 2.833) 10.954 6.406 ( 3.640 9.935 2.833) 10.954 6.453 ( -0.458 -7.098 -0.309) 7.120 6.453 ( -0.458 7.098 -0.309) 7.120 6.675 ( 4.087 -3.756 1.483) 5.746 6.675 ( 4.087 3.756 1.483) 5.746 6.731 ( -0.294 -4.551 -1.323) 4.749 6.731 ( -0.294 4.551 -1.323) 4.749 7.020 ( 2.264 -1.209 0.097) 2.568 7.020 ( 2.264 1.209 0.097) 2.568 7.131 ( -8.153 -1.786 0.194) 8.348 7.131 ( -8.153 1.786 0.194) 8.348 9.338 ( 5.887 -1.869 1.727) 6.414 9.338 ( 5.887 1.869 1.727) 6.414 9.415 ( -1.974 -2.099 1.724) 3.358 9.415 ( -1.974 2.099 1.724) 3.358 11.000 ( 6.124 -4.790 -1.013) 7.841 11.000 ( 6.124 4.790 -1.013) 7.841 11.126 ( -7.149 -4.185 -1.251) 8.378 11.126 ( -7.149 4.185 -1.251) 8.378 12.960 ( 3.245 -7.536 2.129) 8.476 12.960 ( 3.245 7.536 2.129) 8.476 13.028 ( -3.826 -7.226 -4.174) 9.181 13.028 ( -3.826 7.226 -4.174) 9.181 14.292 ( 1.397 -5.842 1.297) 6.145 14.292 ( 1.397 5.842 1.297) 6.145 14.316 ( -1.026 -5.577 -0.795) 5.726 14.316 ( -1.026 5.577 -0.795) 5.726 15.377 ( 3.953 -2.208 2.026) 4.960 15.377 ( 3.953 2.208 2.026) 4.960 15.439 ( -1.947 -2.310 2.258) 3.772 15.439 ( -1.947 2.310 2.258) 3.772 16.164 ( 2.837 -2.655 2.442) 4.589 16.164 ( 2.837 2.655 2.442) 4.589 16.208 ( -0.735 -2.441 1.344) 2.882 16.208 ( -0.735 2.441 1.344) 2.882 16.505 ( 3.665 -1.315 -0.025) 3.894 16.505 ( 3.665 1.315 -0.025) 3.894 16.575 ( -3.110 -1.851 -0.478) 3.651 16.575 ( -3.110 1.851 -0.478) 3.651 17.704 ( 0.312 -6.495 -0.078) 6.503 17.704 ( 0.312 6.495 -0.078) 6.503 17.715 ( -0.845 -6.338 -0.876) 6.454 17.715 ( -0.845 6.338 -0.876) 6.454 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 1837.432 1061.252 964.901 0.000 0.000 -0.000 3/29160 20.0 672.303 468.076 492.809 0.000 0.000 -0.000 3/29160 30.0 293.061 220.129 222.702 0.000 0.000 -0.000 3/29160 40.0 169.514 128.767 130.159 0.000 0.000 -0.000 3/29160 50.0 111.369 85.494 87.042 0.000 0.000 -0.000 3/29160 60.0 79.365 61.628 63.193 0.000 0.000 -0.000 3/29160 70.0 60.160 47.224 48.672 0.000 0.000 -0.000 3/29160 80.0 47.805 37.902 39.166 0.000 0.000 -0.000 3/29160 90.0 39.367 31.503 32.564 0.000 0.000 -0.000 3/29160 100.0 33.309 26.889 27.753 0.000 0.000 -0.000 3/29160 110.0 28.782 23.429 24.113 0.000 0.000 -0.000 3/29160 120.0 25.289 20.748 21.274 0.000 0.000 -0.000 3/29160 130.0 22.523 18.617 19.007 0.000 0.000 -0.000 3/29160 140.0 20.286 16.885 17.160 0.000 0.000 -0.000 3/29160 150.0 18.443 15.453 15.631 0.000 0.000 -0.000 3/29160 160.0 16.904 14.250 14.347 0.000 0.000 -0.000 3/29160 170.0 15.600 13.226 13.256 0.000 0.000 -0.000 3/29160 180.0 14.483 12.345 12.318 0.000 0.000 -0.000 3/29160 190.0 13.516 11.578 11.505 0.000 0.000 -0.000 3/29160 200.0 12.672 10.904 10.793 0.000 0.000 -0.000 3/29160 210.0 11.929 10.309 10.166 0.000 0.000 -0.000 3/29160 220.0 11.270 9.778 9.609 0.000 0.000 -0.000 3/29160 230.0 10.682 9.301 9.110 0.000 0.000 -0.000 3/29160 240.0 10.154 8.872 8.663 0.000 0.000 -0.000 3/29160 250.0 9.677 8.482 8.258 0.000 0.000 -0.000 3/29160 260.0 9.244 8.126 7.891 0.000 0.000 -0.000 3/29160 270.0 8.849 7.800 7.555 0.000 0.000 -0.000 3/29160 280.0 8.488 7.501 7.248 0.000 0.000 -0.000 3/29160 290.0 8.156 7.225 6.966 0.000 0.000 -0.000 3/29160 300.0 7.850 6.969 6.706 0.000 0.000 -0.000 3/29160 310.0 7.567 6.732 6.465 0.000 0.000 -0.000 3/29160 320.0 7.304 6.510 6.241 0.000 0.000 -0.000 3/29160 330.0 7.059 6.304 6.033 0.000 0.000 -0.000 3/29160 340.0 6.831 6.110 5.838 0.000 0.000 -0.000 3/29160 350.0 6.617 5.929 5.656 0.000 0.000 -0.000 3/29160 360.0 6.417 5.758 5.486 0.000 0.000 -0.000 3/29160 370.0 6.229 5.597 5.325 0.000 0.000 -0.000 3/29160 380.0 6.052 5.445 5.174 0.000 0.000 -0.000 3/29160 390.0 5.885 5.302 5.032 0.000 0.000 -0.000 3/29160 400.0 5.727 5.166 4.898 0.000 0.000 -0.000 3/29160 410.0 5.578 5.036 4.770 0.000 0.000 -0.000 3/29160 420.0 5.436 4.914 4.649 0.000 0.000 -0.000 3/29160 430.0 5.302 4.797 4.535 0.000 0.000 -0.000 3/29160 440.0 5.174 4.686 4.426 0.000 0.000 -0.000 3/29160 450.0 5.053 4.580 4.322 0.000 0.000 -0.000 3/29160 460.0 4.937 4.479 4.223 0.000 0.000 -0.000 3/29160 470.0 4.826 4.382 4.129 0.000 0.000 -0.000 3/29160 480.0 4.721 4.289 4.039 0.000 0.000 -0.000 3/29160 490.0 4.620 4.201 3.953 0.000 0.000 -0.000 3/29160 500.0 4.523 4.116 3.870 0.000 0.000 -0.000 3/29160 510.0 4.431 4.034 3.791 0.000 0.000 -0.000 3/29160 520.0 4.342 3.956 3.715 0.000 0.000 -0.000 3/29160 530.0 4.257 3.880 3.642 0.000 0.000 -0.000 3/29160 540.0 4.175 3.808 3.572 0.000 0.000 -0.000 3/29160 550.0 4.096 3.738 3.505 0.000 0.000 -0.000 3/29160 560.0 4.020 3.671 3.440 0.000 0.000 -0.000 3/29160 570.0 3.947 3.606 3.378 0.000 0.000 -0.000 3/29160 580.0 3.877 3.543 3.318 0.000 0.000 -0.000 3/29160 590.0 3.809 3.483 3.260 0.000 0.000 -0.000 3/29160 600.0 3.744 3.424 3.204 0.000 0.000 -0.000 3/29160 610.0 3.680 3.368 3.150 0.000 0.000 -0.000 3/29160 620.0 3.619 3.313 3.098 0.000 0.000 -0.000 3/29160 630.0 3.560 3.260 3.047 0.000 0.000 -0.000 3/29160 640.0 3.503 3.209 2.998 0.000 0.000 -0.000 3/29160 650.0 3.448 3.160 2.951 0.000 0.000 -0.000 3/29160 660.0 3.394 3.112 2.905 0.000 0.000 -0.000 3/29160 670.0 3.342 3.065 2.861 0.000 0.000 -0.000 3/29160 680.0 3.292 3.020 2.818 0.000 0.000 -0.000 3/29160 690.0 3.243 2.976 2.776 0.000 0.000 -0.000 3/29160 700.0 3.196 2.933 2.736 0.000 0.000 -0.000 3/29160 710.0 3.150 2.892 2.696 0.000 0.000 -0.000 3/29160 720.0 3.105 2.852 2.658 0.000 0.000 -0.000 3/29160 730.0 3.062 2.812 2.621 0.000 0.000 -0.000 3/29160 740.0 3.019 2.774 2.585 0.000 0.000 -0.000 3/29160 750.0 2.978 2.737 2.550 0.000 0.000 -0.000 3/29160 760.0 2.938 2.701 2.516 0.000 0.000 -0.000 3/29160 770.0 2.900 2.666 2.483 0.000 0.000 -0.000 3/29160 780.0 2.862 2.632 2.450 0.000 0.000 -0.000 3/29160 790.0 2.825 2.599 2.419 0.000 0.000 -0.000 3/29160 800.0 2.789 2.566 2.388 0.000 0.000 -0.000 3/29160 810.0 2.754 2.534 2.358 0.000 0.000 -0.000 3/29160 820.0 2.720 2.503 2.329 0.000 0.000 -0.000 3/29160 830.0 2.687 2.473 2.300 0.000 0.000 -0.000 3/29160 840.0 2.654 2.444 2.273 0.000 0.000 -0.000 3/29160 850.0 2.623 2.415 2.246 0.000 0.000 -0.000 3/29160 860.0 2.592 2.387 2.219 0.000 0.000 -0.000 3/29160 870.0 2.561 2.359 2.193 0.000 0.000 -0.000 3/29160 880.0 2.532 2.333 2.168 0.000 0.000 -0.000 3/29160 890.0 2.503 2.306 2.143 0.000 0.000 -0.000 3/29160 900.0 2.475 2.281 2.119 0.000 0.000 -0.000 3/29160 910.0 2.447 2.256 2.096 0.000 0.000 -0.000 3/29160 920.0 2.420 2.231 2.073 0.000 0.000 -0.000 3/29160 930.0 2.394 2.207 2.050 0.000 0.000 -0.000 3/29160 940.0 2.368 2.184 2.028 0.000 0.000 -0.000 3/29160 950.0 2.343 2.161 2.006 0.000 0.000 -0.000 3/29160 960.0 2.318 2.138 1.985 0.000 0.000 -0.000 3/29160 970.0 2.294 2.116 1.965 0.000 0.000 -0.000 3/29160 980.0 2.271 2.095 1.944 0.000 0.000 -0.000 3/29160 990.0 2.247 2.074 1.925 0.000 0.000 -0.000 3/29160 1000.0 2.225 2.053 1.905 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:20:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|